2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide

C8H7BrF2N2O — CID 119016650

IUPAC2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
SMILESCc1cnc(Br)c(C(N)=O)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-3-2-13-6(9)5(8(12)14)4(3)7(10)11/h2,7H,1H3,(H2,12,14)
InChIKeyDJHPOTCNGXDJHU-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.19
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide

2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide (PubChem CID 119016650) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
PubChem CID119016650
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
SMILESCc1cnc(Br)c(C(N)=O)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-3-2-13-6(9)5(8(12)14)4(3)7(10)11/h2,7H,1H3,(H2,12,14)
InChIKeyDJHPOTCNGXDJHU-UHFFFAOYSA-N
XLogP2.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 130102197
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
2-bromo-4-(difluoromethyl)pyridine-3,5-diol
CID 118999212
2,3,5-trimethylpyridine-4-carboxamide
CID 118022841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide (CID 119016650) is 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide is Cc1cnc(Br)c(C(N)=O)c1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide?
The InChIKey is DJHPOTCNGXDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c1-3-2-13-6(9)5(8(12)14)4(3)7(10)11/h2,7H,1H3,(H2,12,14).
What are the key properties of 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide?
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide has a molecular weight of 265.06 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 119016650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).