4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid

C8H6BrF2NO2 — CID 130098211

IUPAC4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CBr)cc(C(F)F)n1
InChIInChI=1S/C8H6BrF2NO2/c9-3-4-1-5(7(10)11)12-6(2-4)8(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeyUIIVDCUPNOUBLL-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.61
Rot. Bonds3

About 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid

4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130098211) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130098211
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CBr)cc(C(F)F)n1
InChIInChI=1S/C8H6BrF2NO2/c9-3-4-1-5(7(10)11)12-6(2-4)8(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeyUIIVDCUPNOUBLL-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid (CID 130098211) is 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(CBr)cc(C(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is UIIVDCUPNOUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-3-4-1-5(7(10)11)12-6(2-4)8(13)14/h1-2,7H,3H2,(H,13,14).
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid?
4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 266.04 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130098211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).