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858117-12-1 | Methanone, (6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS No: 858117-12-1 Catalog No: AG004OGH MDL No:
Product Description
Catalog Number:
AG004OGH
Chemical Name:
Methanone, (6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS Number:
858117-12-1
Molecular Formula:
C13H8ClN3O
Molecular Weight:
257.6751
IUPAC Name:
(6-chloropyridin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
InChI:
InChI=1S/C13H8ClN3O/c14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13/h1-7H,(H,15,17)
InChI Key:
FFTPKLAPDHKTML-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)c1c[nH]c2c1cccn2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.677g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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