3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine

C7H5BrF3N — CID 130096320

IUPAC3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
SMILESFc1cncc(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-1-4-2-12-3-5(9)6(4)7(10)11/h2-3,7H,1H2
InChIKeyHWEHFILJCLXAJW-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.05
Rot. Bonds2

About 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine

3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine (PubChem CID 130096320) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
PubChem CID130096320
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
SMILESFc1cncc(CBr)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-1-4-2-12-3-5(9)6(4)7(10)11/h2-3,7H,1H2
InChIKeyHWEHFILJCLXAJW-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 130081732
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
CID 168937466
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
CID 130095199
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine (CID 130096320) is 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine.
What is the SMILES notation for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The canonical SMILES for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine is Fc1cncc(CBr)c1C(F)F.
What is the InChIKey of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The InChIKey is HWEHFILJCLXAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-1-4-2-12-3-5(9)6(4)7(10)11/h2-3,7H,1H2.
What are the key properties of 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine has a molecular weight of 240.02 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine is sourced from PubChem (CID 130096320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).