N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide

C13H8BrClF2N2O — CID 105381565

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccnc(F)c2F)cc1Cl
InChIInChI=1S/C13H8BrClF2N2O/c1-6-4-8(14)10(5-9(6)15)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20)
InChIKeyLYNXALUEOLKZFI-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.34
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381565) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381565
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccnc(F)c2F)cc1Cl
InChIInChI=1S/C13H8BrClF2N2O/c1-6-4-8(14)10(5-9(6)15)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20)
InChIKeyLYNXALUEOLKZFI-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

2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide (CID 105381565) is N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide is Cc1cc(Br)c(NC(=O)c2ccnc(F)c2F)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is LYNXALUEOLKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c1-6-4-8(14)10(5-9(6)15)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-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 N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).