5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide

C13H9BrF3N3O — CID 62812436

IUPAC5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H9BrF3N3O/c1-18-12-8(2-6(14)5-19-12)13(21)20-10-4-7(15)3-9(16)11(10)17/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyHSPVCWLDVBVWEH-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.56
Rot. Bonds3

About 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 62812436) has the molecular formula C13H9BrF3N3O and a molecular weight of 360.13 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
PubChem CID62812436
Molecular FormulaC13H9BrF3N3O
Molecular Weight360.13 g/mol
Exact Mass358.99
IUPAC Name5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H9BrF3N3O/c1-18-12-8(2-6(14)5-19-12)13(21)20-10-4-7(15)3-9(16)11(10)17/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyHSPVCWLDVBVWEH-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,3-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181848
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-N-(2-chloro-4-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166681
5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243354
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide (CID 62812436) is 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is HSPVCWLDVBVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O/c1-18-12-8(2-6(14)5-19-12)13(21)20-10-4-7(15)3-9(16)11(10)17/h2-5H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 360.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62812436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).