4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine

C7H5BrClF2N — CID 130095511

IUPAC4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
SMILESFC(F)c1cncc(Cl)c1CBr
InChIInChI=1S/C7H5BrClF2N/c8-1-4-5(7(10)11)2-12-3-6(4)9/h2-3,7H,1H2
InChIKeyZERQUJLMWHIGKK-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.57
Rot. Bonds2

About 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine

4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine (PubChem CID 130095511) has the molecular formula C7H5BrClF2N and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
PubChem CID130095511
Molecular FormulaC7H5BrClF2N
Molecular Weight256.48 g/mol
Exact Mass254.93
IUPAC Name4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
SMILESFC(F)c1cncc(Cl)c1CBr
InChIInChI=1S/C7H5BrClF2N/c8-1-4-5(7(10)11)2-12-3-6(4)9/h2-3,7H,1H2
InChIKeyZERQUJLMWHIGKK-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.57
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-(difluoromethyl)-5-fluoropyridine
CID 130096329
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134669144
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
CID 130096727
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
CID 118805205
4-(bromomethyl)-3-chloro-5-(2-fluorophenyl)pyridine
CID 118799577
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine (CID 130095511) is 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine is FC(F)c1cncc(Cl)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine?
The InChIKey is ZERQUJLMWHIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2N/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-chloro-5-(difluoromethyl)pyridine?
4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine has a molecular weight of 256.48 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine is sourced from PubChem (CID 130095511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).