N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide

C13H9BrClFN2O — CID 103867736

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c1-7-9(3-2-4-17-7)13(19)18-12-10(14)5-8(16)6-11(12)15/h2-6H,1H3,(H,18,19)
InChIKeyCMTAWPJZUGICAL-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.20
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 103867736) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
PubChem CID103867736
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H9BrClFN2O/c1-7-9(3-2-4-17-7)13(19)18-12-10(14)5-8(16)6-11(12)15/h2-6H,1H3,(H,18,19)
InChIKeyCMTAWPJZUGICAL-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

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Related Compounds

3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009
N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107470577
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide (CID 103867736) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is CMTAWPJZUGICAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7-9(3-2-4-17-7)13(19)18-12-10(14)5-8(16)6-11(12)15/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-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-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 103867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).