N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide

C13H10BrFN2O — CID 103753400

IUPACN-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-10(3-2-6-16-8)13(18)17-12-7-9(15)4-5-11(12)14/h2-7H,1H3,(H,17,18)
InChIKeyNPQFGGKCBJAYRM-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide

N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 103753400) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID103753400
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-10(3-2-6-16-8)13(18)17-12-7-9(15)4-5-11(12)14/h2-7H,1H3,(H,17,18)
InChIKeyNPQFGGKCBJAYRM-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

N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
CID 107624299
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 103753400) is N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is NPQFGGKCBJAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-10(3-2-6-16-8)13(18)17-12-7-9(15)4-5-11(12)14/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-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 N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 103753400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).