3-bromopyridine-4-carboxamide

3-bromopyridine-4-carboxamide

CAS: 13958-99-1

Formula: C6H5BrN2O

SMILES: NC(=O)C1=CC=NC=C1Br

IUPAC: 3-bromopyridine-4-carboxamide

InChI: InChI=1S/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)

Composition: C (35.85%), H (2.51%), Br (39.75%), N (13.94%), O (7.96%)

Molar Mass: 201.023

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.958526
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YQOHJFWLALWBBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.6
Topological Polar Surface Area	55.98
Polarizability	15.26
Ring Count	1
Rotatable Bond Count	1

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