3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide

C7H4Br2F2N2O — CID 119025298

IUPAC3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(Br)c(C(F)F)cc1Br
InChIInChI=1S/C7H4Br2F2N2O/c8-3-1-2(6(10)11)5(9)13-4(3)7(12)14/h1,6H,(H2,12,14)
InChIKeyCLUPKIKKTXWBSA-UHFFFAOYSA-N
MW329.93 g/mol
LogP2.64
Rot. Bonds2

About 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide

3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 119025298) has the molecular formula C7H4Br2F2N2O and a molecular weight of 329.93 g/mol. Its IUPAC name is 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
PubChem CID119025298
Molecular FormulaC7H4Br2F2N2O
Molecular Weight329.93 g/mol
Exact Mass327.87
IUPAC Name3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(Br)c(C(F)F)cc1Br
InChIInChI=1S/C7H4Br2F2N2O/c8-3-1-2(6(10)11)5(9)13-4(3)7(12)14/h1,6H,(H2,12,14)
InChIKeyCLUPKIKKTXWBSA-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.93
LogP ≤ 52.64
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

6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118992492
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103139
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide (CID 119025298) is 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide is NC(=O)c1nc(Br)c(C(F)F)cc1Br.
What is the InChIKey of 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is CLUPKIKKTXWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2N2O/c8-3-1-2(6(10)11)5(9)13-4(3)7(12)14/h1,6H,(H2,12,14).
What are the key properties of 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide?
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 329.93 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 119025298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).