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

C8H5BrF3NO2 — CID 130081939

IUPAC2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(C(F)F)nc1CBr
InChIInChI=1S/C8H5BrF3NO2/c9-2-5-3(8(14)15)1-4(10)6(13-5)7(11)12/h1,7H,2H2,(H,14,15)
InChIKeyGMHSPFLYXBTEHF-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.75
Rot. Bonds3

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

2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 130081939) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
PubChem CID130081939
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(C(F)F)nc1CBr
InChIInChI=1S/C8H5BrF3NO2/c9-2-5-3(8(14)15)1-4(10)6(13-5)7(11)12/h1,7H,2H2,(H,14,15)
InChIKeyGMHSPFLYXBTEHF-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)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118832807
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130098199

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid (CID 130081939) is 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is GMHSPFLYXBTEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-2-5-3(8(14)15)1-4(10)6(13-5)7(11)12/h1,7H,2H2,(H,14,15).
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
2-(bromomethyl)-6-(difluoromethyl)-5-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 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 130081939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).