N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride

C12H9BrClFN2O — CID 110779489

IUPACN-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Br)ccc1F)c1cccnc1
InChIInChI=1S/C12H8BrFN2O.ClH/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8;/h1-7H,(H,16,17);1H
InChIKeyGKQFFPJRXGHWCE-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.66
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride

N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110779489) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
PubChem CID110779489
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC NameN-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Br)ccc1F)c1cccnc1
InChIInChI=1S/C12H8BrFN2O.ClH/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8;/h1-7H,(H,16,17);1H
InChIKeyGKQFFPJRXGHWCE-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387
N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride (CID 110779489) is N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(Br)ccc1F)c1cccnc1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is GKQFFPJRXGHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O.ClH/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8;/h1-7H,(H,16,17);1H.
What are the key properties of N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride?
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 331.57 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110779489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).