3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid

C8H5BrF3NO2 — CID 130081955

IUPAC3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1CBr
InChIInChI=1S/C8H5BrF3NO2/c9-1-3-5(10)4(7(11)12)2-13-6(3)8(14)15/h2,7H,1H2,(H,14,15)
InChIKeyRWUHPWRAQHFORB-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.75
Rot. Bonds3

About 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid

3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (PubChem CID 130081955) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
PubChem CID130081955
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1CBr
InChIInChI=1S/C8H5BrF3NO2/c9-1-3-5(10)4(7(11)12)2-13-6(3)8(14)15/h2,7H,1H2,(H,14,15)
InChIKeyRWUHPWRAQHFORB-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
3-(bromomethyl)-5-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087232
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (CID 130081955) is 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)c(F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The InChIKey is RWUHPWRAQHFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-1-3-5(10)4(7(11)12)2-13-6(3)8(14)15/h2,7H,1H2,(H,14,15).
What are the key properties of 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid has a molecular weight of 284.03 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130081955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).