6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide

C8H7BrF2N2O — CID 130098307

IUPAC6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(CBr)c(C(F)F)c1
InChIInChI=1S/C8H7BrF2N2O/c9-2-6-5(7(10)11)1-4(3-13-6)8(12)14/h1,3,7H,2H2,(H2,12,14)
InChIKeyYBZABSARQOITKT-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.01
Rot. Bonds3

About 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide

6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 130098307) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
PubChem CID130098307
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(CBr)c(C(F)F)c1
InChIInChI=1S/C8H7BrF2N2O/c9-2-6-5(7(10)11)1-4(3-13-6)8(12)14/h1,3,7H,2H2,(H2,12,14)
InChIKeyYBZABSARQOITKT-UHFFFAOYSA-N
XLogP2.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
CID 130098249
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
methyl 2-(bromomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 130087266
2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118838272
2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide
CID 130098306
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide
CID 130693411
4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098302

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide (CID 130098307) is 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide is NC(=O)c1cnc(CBr)c(C(F)F)c1.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is YBZABSARQOITKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-2-6-5(7(10)11)1-4(3-13-6)8(12)14/h1,3,7H,2H2,(H2,12,14).
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide?
6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 265.06 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 130098307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).