5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid

C8H5BrF3NO2 — CID 130081975

IUPAC5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(CBr)c(F)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-2-3-1-4(8(14)15)5(6(10)11)13-7(3)12/h1,6H,2H2,(H,14,15)
InChIKeyGMTYFULDPWGTDJ-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.75
Rot. Bonds3

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

5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (PubChem CID 130081975) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
PubChem CID130081975
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(CBr)c(F)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-2-3-1-4(8(14)15)5(6(10)11)13-7(3)12/h1,6H,2H2,(H,14,15)
InChIKeyGMTYFULDPWGTDJ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130098199
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
5-(bromomethyl)-2,4-difluorobenzoic acid
CID 66524399
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (CID 130081975) is 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(CBr)c(F)nc1C(F)F.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The InChIKey is GMTYFULDPWGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-2-3-1-4(8(14)15)5(6(10)11)13-7(3)12/h1,6H,2H2,(H,14,15).
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-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 5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 130081975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).