2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide

C8H7BrF2N2O — CID 130098306

IUPAC2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-3-5-6(7(10)11)4(8(12)14)1-2-13-5/h1-2,7H,3H2,(H2,12,14)
InChIKeySFJUPXCPLIKJJW-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.01
Rot. Bonds3

About 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide

2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide (PubChem CID 130098306) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide
PubChem CID130098306
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-3-5-6(7(10)11)4(8(12)14)1-2-13-5/h1-2,7H,3H2,(H2,12,14)
InChIKeySFJUPXCPLIKJJW-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

3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130096554
2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118838272
2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 118990825
3-amino-2-bromopyridine-4-carboxamide
CID 112757948
6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
CID 130098307
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxamide
CID 131093566

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide (CID 130098306) is 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide is NC(=O)c1ccnc(CBr)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide?
The InChIKey is SFJUPXCPLIKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-3-5-6(7(10)11)4(8(12)14)1-2-13-5/h1-2,7H,3H2,(H2,12,14).
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide?
2-(bromomethyl)-3-(difluoromethyl)pyridine-4-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 2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 130098306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).