4-cyanopyridine-2-carboxylic acid

4-cyanopyridine-2-carboxylic acid

CAS: 640296-19-1

Formula: C7H4N2O2

SMILES: OC(=O)C1=NC=CC(=C1)C#N

IUPAC: 4-cyanopyridine-2-carboxylic acid

InChI: InChI=1S/C7H4N2O2/c8-4-5-1-2-9-6(3-5)7(10)11/h1-3H,(H,10,11)

Composition: C (56.76%), H (2.72%), N (18.91%), O (21.60%)

Molar Mass: 148.121

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	148.027277377
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CMKZSIGRFONKKC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.51
Topological Polar Surface Area	73.98
Polarizability	13.66
Ring Count	1
Rotatable Bond Count	1

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