3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine

C7H4BrCl2F2N — CID 130108110

IUPAC3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(Cl)c(CCl)c1Br
InChIInChI=1S/C7H4BrCl2F2N/c8-5-3(1-9)4(10)2-13-6(5)7(11)12/h2,7H,1H2
InChIKeyFVHMDERHJXDGOB-UHFFFAOYSA-N
MW290.92 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine

3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (PubChem CID 130108110) has the molecular formula C7H4BrCl2F2N and a molecular weight of 290.92 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
PubChem CID130108110
Molecular FormulaC7H4BrCl2F2N
Molecular Weight290.92 g/mol
Exact Mass288.89
IUPAC Name3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncc(Cl)c(CCl)c1Br
InChIInChI=1S/C7H4BrCl2F2N/c8-5-3(1-9)4(10)2-13-6(5)7(11)12/h2,7H,1H2
InChIKeyFVHMDERHJXDGOB-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.92
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130069239
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110275
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (CID 130108110) is 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is FC(F)c1ncc(Cl)c(CCl)c1Br.
What is the InChIKey of 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The InChIKey is FVHMDERHJXDGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2F2N/c8-5-3(1-9)4(10)2-13-6(5)7(11)12/h2,7H,1H2.
What are the key properties of 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine has a molecular weight of 290.92 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 130108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).