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

C13H10BrClFN3O — CID 65437023

IUPACN-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(Br)c(F)c2)cc(Cl)n1
InChIInChI=1S/C13H10BrClFN3O/c1-17-12-5-7(4-11(15)19-12)13(20)18-8-2-3-9(14)10(16)6-8/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyRBPMXOWGHWARFP-UHFFFAOYSA-N
MW358.60 g/mol
LogP3.93
Rot. Bonds3

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

N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 65437023) has the molecular formula C13H10BrClFN3O and a molecular weight of 358.60 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID65437023
Molecular FormulaC13H10BrClFN3O
Molecular Weight358.60 g/mol
Exact Mass356.97
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(Br)c(F)c2)cc(Cl)n1
InChIInChI=1S/C13H10BrClFN3O/c1-17-12-5-7(4-11(15)19-12)13(20)18-8-2-3-9(14)10(16)6-8/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyRBPMXOWGHWARFP-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 65435448
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 65437023) is N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(Br)c(F)c2)cc(Cl)n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is RBPMXOWGHWARFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN3O/c1-17-12-5-7(4-11(15)19-12)13(20)18-8-2-3-9(14)10(16)6-8/h2-6H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 358.60 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 65437023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).