CAS 339106-98-8 | 3-hydroxypyrido[1,2-a]indole-10-carbonitrile | CAS Number 339106-98-8

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339106-98-8 | 3-hydroxypyrido[1,2-a]indole-10-carbonitrile

CAS No: 339106-98-8 Catalog No: AG00IYYX MDL No:MFCD01568483

Product Description

Catalog Number:

AG00IYYX

Chemical Name:

3-hydroxypyrido[1,2-a]indole-10-carbonitrile

CAS Number:

339106-98-8

Molecular Formula:

C13H8N2O

Molecular Weight:

208.2154

MDL Number:

MFCD01568483

IUPAC Name:

3-hydroxypyrido[1,2-a]indole-10-carbonitrile

InChI:

InChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H

InChI Key:

OPRUTASSYAGEDI-UHFFFAOYSA-N

SMILES:

N#Cc1c2ccccn2c2c1ccc(c2)O

Properties

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.22g/mol

Monoisotopic Mass:

208.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501