2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide

C7H4BrF3N2O — CID 119010970

IUPAC2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(F)nc1Br
InChIInChI=1S/C7H4BrF3N2O/c8-5-4(7(12)14)2(6(10)11)1-3(9)13-5/h1,6H,(H2,12,14)
InChIKeyHIIGUNFWWWCXAR-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.02
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide

2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 119010970) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
PubChem CID119010970
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC Name2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(F)nc1Br
InChIInChI=1S/C7H4BrF3N2O/c8-5-4(7(12)14)2(6(10)11)1-3(9)13-5/h1,6H,(H2,12,14)
InChIKeyHIIGUNFWWWCXAR-UHFFFAOYSA-N
XLogP2.02
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 52.02
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

2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
CID 118999240
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102254
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130081987
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
CID 119018264
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
ethyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104522
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide (CID 119010970) is 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide is NC(=O)c1c(C(F)F)cc(F)nc1Br.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is HIIGUNFWWWCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-5-4(7(12)14)2(6(10)11)1-3(9)13-5/h1,6H,(H2,12,14).
What are the key properties of 2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 269.02 g/mol, XLogP of 2.02, 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)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 119010970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).