N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide

C13H9BrClFN2O — CID 103274583

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7-5-10(16)9(14)6-11(7)18-13(19)8-3-2-4-17-12(8)15/h2-6H,1H3,(H,18,19)
InChIKeyFFMBIUHXZIEPCX-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.20
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide (PubChem CID 103274583) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
PubChem CID103274583
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7-5-10(16)9(14)6-11(7)18-13(19)8-3-2-4-17-12(8)15/h2-6H,1H3,(H,18,19)
InChIKeyFFMBIUHXZIEPCX-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.20
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

2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide (CID 103274583) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is FFMBIUHXZIEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7-5-10(16)9(14)6-11(7)18-13(19)8-3-2-4-17-12(8)15/h2-6H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 343.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 103274583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).