5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide

C13H10BrFN2O — CID 26881964

IUPAC5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-2-3-11(15)12(4-8)17-13(18)9-5-10(14)7-16-6-9/h2-7H,1H3,(H,17,18)
InChIKeyVBGUTMUHMZMDNA-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

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

5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 26881964) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
PubChem CID26881964
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-2-3-11(15)12(4-8)17-13(18)9-5-10(14)7-16-6-9/h2-7H,1H3,(H,17,18)
InChIKeyVBGUTMUHMZMDNA-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 60795117
5-bromo-N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242736
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
5-chloro-N-(2-fluoro-5-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62242553
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833
5-chloro-6-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 62166153
5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 5225975
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide (CID 26881964) is 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is VBGUTMUHMZMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-2-3-11(15)12(4-8)17-13(18)9-5-10(14)7-16-6-9/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 26881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).