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

C8H5BrF3NO2 — CID 130081925

IUPAC2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cnc(CBr)c1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-1-4-6(7(11)12)5(8(14)15)3(10)2-13-4/h2,7H,1H2,(H,14,15)
InChIKeyFBOGDRNVAQSRHA-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.75
Rot. Bonds3

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

2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 130081925) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID130081925
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cnc(CBr)c1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-1-4-6(7(11)12)5(8(14)15)3(10)2-13-4/h2,7H,1H2,(H,14,15)
InChIKeyFBOGDRNVAQSRHA-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'}

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Related Compounds

2-(bromomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118849606
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (CID 130081925) is 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is O=C(O)c1c(F)cnc(CBr)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is FBOGDRNVAQSRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-1-4-6(7(11)12)5(8(14)15)3(10)2-13-4/h2,7H,1H2,(H,14,15).
What are the key properties of 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-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 2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 130081925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).