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Home > Pyridines > 904817-40-9
904817-40-9 | 6-(2-PYRIDIN-4-YL-PYRROLIDIN-1-YL)-NICOTINIC ACID
CAS No: 904817-40-9 Catalog No: AG00GVB4 MDL No:MFCD06245474
Product Description
Catalog Number:
AG00GVB4
Chemical Name:
6-(2-PYRIDIN-4-YL-PYRROLIDIN-1-YL)-NICOTINIC ACID
CAS Number:
904817-40-9
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD06245474
IUPAC Name:
6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H15N3O2/c19-15(20)12-3-4-14(17-10-12)18-9-1-2-13(18)11-5-7-16-8-6-11/h3-8,10,13H,1-2,9H2,(H,19,20)
InChI Key:
JXKJIGQBYJMPKA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)N1CCCC1c1ccncc1
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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