5-bromo-2-fluoro-N-methylpyridine-3-carboxamide

C7H6BrFN2O — CID 74890483

IUPAC5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1F
InChIInChI=1S/C7H6BrFN2O/c1-10-7(12)5-2-4(8)3-11-6(5)9/h2-3H,1H3,(H,10,12)
InChIKeyKKWVKLDAAARXEB-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.34
Rot. Bonds1

About 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide

5-bromo-2-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 74890483) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
PubChem CID74890483
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cnc1F
InChIInChI=1S/C7H6BrFN2O/c1-10-7(12)5-2-4(8)3-11-6(5)9/h2-3H,1H3,(H,10,12)
InChIKeyKKWVKLDAAARXEB-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.34
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

5-bromo-2-fluoropyridine-3-carbonyl fluoride
CID 169030811
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
2-amino-5-bromo-3-fluoro-N-methylbenzamide
CID 67263746
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
CID 59832332
5-amino-2-bromo-N-methylpyridine-3-carboxamide
CID 99981273
5-bromo-2-methylpyridine-3-carbohydrazide
CID 133061370
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide (CID 74890483) is 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is KKWVKLDAAARXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c1-10-7(12)5-2-4(8)3-11-6(5)9/h2-3H,1H3,(H,10,12).
What are the key properties of 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide?
5-bromo-2-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 233.04 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 74890483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).