4-cyanopyridine-3-carboxylic acid

4-cyanopyridine-3-carboxylic acid

CAS: 827616-51-3

Formula: C7H4N2O2

SMILES: OC(=O)C1=CN=CC=C1C#N

IUPAC: 4-cyanopyridine-3-carboxylic acid

InChI: InChI=1S/C7H4N2O2/c8-3-5-1-2-9-4-6(5)7(10)11/h1-2,4H,(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	JAKDLDWUKSYREG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.88
Topological Polar Surface Area	73.98
Polarizability	13.66
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	827616-51-3		$158.36-$211.14$158.36$211.14