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

C13H10Br2FN3O — CID 62170659

IUPAC5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10Br2FN3O/c1-17-12-9(4-8(15)6-18-12)13(20)19-11-3-2-7(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyJXTYNECUWXUBQB-UHFFFAOYSA-N
MW403.05 g/mol
LogP4.04
Rot. Bonds3

About 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62170659) has the molecular formula C13H10Br2FN3O and a molecular weight of 403.05 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62170659
Molecular FormulaC13H10Br2FN3O
Molecular Weight403.05 g/mol
Exact Mass400.92
IUPAC Name5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10Br2FN3O/c1-17-12-9(4-8(15)6-18-12)13(20)19-11-3-2-7(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyJXTYNECUWXUBQB-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
5-bromo-N-(2,3-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181848
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
5-bromo-N-(2-chloro-4-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166681
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-2-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 55132805
5-bromo-N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 62170659) is 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is JXTYNECUWXUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FN3O/c1-17-12-9(4-8(15)6-18-12)13(20)19-11-3-2-7(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 403.05 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62170659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).