3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid

C8H5BrClF2NO2 — CID 130075329

IUPAC3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H5BrClF2NO2/c9-2-3-1-4(10)6(7(11)12)13-5(3)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyDBCVUJLKROAGAF-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.27
Rot. Bonds3

About 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid

3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130075329) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130075329
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H5BrClF2NO2/c9-2-3-1-4(10)6(7(11)12)13-5(3)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyDBCVUJLKROAGAF-UHFFFAOYSA-N
XLogP3.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.27
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

2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-(bromomethyl)-4-chloro-5-fluorobenzoic acid
CID 171019929
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118832704
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid (CID 130075329) is 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(Cl)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DBCVUJLKROAGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c9-2-3-1-4(10)6(7(11)12)13-5(3)8(14)15/h1,7H,2H2,(H,14,15).
What are the key properties of 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 300.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130075329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).