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

C8H7BrF2N2O2 — CID 119011099

IUPAC2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
SMILESCOc1c(C(F)F)cnc(Br)c1C(N)=O
InChIInChI=1S/C8H7BrF2N2O2/c1-15-5-3(7(10)11)2-13-6(9)4(5)8(12)14/h2,7H,1H3,(H2,12,14)
InChIKeyRBVQHECZRXLBNM-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.89
Rot. Bonds3

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

2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide (PubChem CID 119011099) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
PubChem CID119011099
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
SMILESCOc1c(C(F)F)cnc(Br)c1C(N)=O
InChIInChI=1S/C8H7BrF2N2O2/c1-15-5-3(7(10)11)2-13-6(9)4(5)8(12)14/h2,7H,1H3,(H2,12,14)
InChIKeyRBVQHECZRXLBNM-UHFFFAOYSA-N
XLogP1.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
CID 118816904
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675
5-(difluoromethyl)-2-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105200
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130101773
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
ethyl 2,4-dibromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683196
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide?
The IUPAC name of 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide (CID 119011099) is 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide is COc1c(C(F)F)cnc(Br)c1C(N)=O.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide?
The InChIKey is RBVQHECZRXLBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-15-5-3(7(10)11)2-13-6(9)4(5)8(12)14/h2,7H,1H3,(H2,12,14).
What are the key properties of 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide?
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide has a molecular weight of 281.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 119011099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).