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

C7H5BrF3N — CID 130096329

IUPAC4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
SMILESFc1cncc(C(F)F)c1CBr
InChIInChI=1S/C7H5BrF3N/c8-1-4-5(7(10)11)2-12-3-6(4)9/h2-3,7H,1H2
InChIKeyAXJUTADLCZBNBR-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.05
Rot. Bonds2

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

4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine (PubChem CID 130096329) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
PubChem CID130096329
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
SMILESFc1cncc(C(F)F)c1CBr
InChIInChI=1S/C7H5BrF3N/c8-1-4-5(7(10)11)2-12-3-6(4)9/h2-3,7H,1H2
InChIKeyAXJUTADLCZBNBR-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

4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
CID 130095511
4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134669144
4-(bromomethyl)-3-fluoro-5-iodopyridine
CID 130881845
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine (CID 130096329) is 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine is Fc1cncc(C(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine?
The InChIKey is AXJUTADLCZBNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-1-4-5(7(10)11)2-12-3-6(4)9/h2-3,7H,1H2.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine?
4-(bromomethyl)-3-(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 4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine is sourced from PubChem (CID 130096329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).