N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide

C12H7BrClFN2O — CID 103478796

IUPACN-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cccc(F)n1
InChIInChI=1S/C12H7BrClFN2O/c13-11-7(14)3-1-4-8(11)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18)
InChIKeyUBHZIDHBUKVWQK-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide

N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 103478796) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
PubChem CID103478796
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC NameN-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cccc(F)n1
InChIInChI=1S/C12H7BrClFN2O/c13-11-7(14)3-1-4-8(11)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18)
InChIKeyUBHZIDHBUKVWQK-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 103481373
N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 103481467

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide (CID 103478796) is N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1cccc(F)n1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is UBHZIDHBUKVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-11-7(14)3-1-4-8(11)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide?
N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 103478796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).