5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide

C13H8BrClF2N2O — CID 82818718

IUPAC5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(Br)cnc2Cl)c1F
InChIInChI=1S/C13H8BrClF2N2O/c1-6-2-3-9(16)11(10(6)17)19-13(20)8-4-7(14)5-18-12(8)15/h2-5H,1H3,(H,19,20)
InChIKeyPBNCQNADVXSQBL-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.34
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 82818718) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
PubChem CID82818718
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(Br)cnc2Cl)c1F
InChIInChI=1S/C13H8BrClF2N2O/c1-6-2-3-9(16)11(10(6)17)19-13(20)8-4-7(14)5-18-12(8)15/h2-5H,1H3,(H,19,20)
InChIKeyPBNCQNADVXSQBL-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.34
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

5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide (CID 82818718) is 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(Br)cnc2Cl)c1F.
What is the InChIKey of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is PBNCQNADVXSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c1-6-2-3-9(16)11(10(6)17)19-13(20)8-4-7(14)5-18-12(8)15/h2-5H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 361.57 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 82818718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).