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Home > Pyridines > 904816-93-9
904816-93-9 | 2-(2-PYRIDIN-4-YL-PYRROLIDIN-1-YL)-NICOTINIC ACID
CAS No: 904816-93-9 Catalog No: AG00GSXI MDL No:MFCD06245467
Product Description
Catalog Number:
AG00GSXI
Chemical Name:
2-(2-PYRIDIN-4-YL-PYRROLIDIN-1-YL)-NICOTINIC ACID
CAS Number:
904816-93-9
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD06245467
IUPAC Name:
2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H15N3O2/c19-15(20)12-3-1-7-17-14(12)18-10-2-4-13(18)11-5-8-16-9-6-11/h1,3,5-9,13H,2,4,10H2,(H,19,20)
InChI Key:
RHSGINWTCHBMKO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1N1CCCC1c1ccncc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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