4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine

C7H4BrClF3N — CID 130071761

IUPAC4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CBr)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H4BrClF3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyJGUJFAZRGNFEQR-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.71
Rot. Bonds2

About 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine

4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine (PubChem CID 130071761) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
PubChem CID130071761
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CBr)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H4BrClF3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyJGUJFAZRGNFEQR-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine (CID 130071761) is 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine is Fc1cc(CBr)c(C(F)F)c(Cl)n1.
What is the InChIKey of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine?
The InChIKey is JGUJFAZRGNFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2.
What are the key properties of 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine?
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine has a molecular weight of 274.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 130071761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).