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

C8H4Cl2F5N — CID 119009541

IUPAC2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1c(Cl)ncc(CCl)c1C(F)(F)F
InChIInChI=1S/C8H4Cl2F5N/c9-1-3-2-16-6(10)4(7(11)12)5(3)8(13,14)15/h2,7H,1H2
InChIKeyKRSKXJPOKDGWEM-UHFFFAOYSA-N
MW280.02 g/mol
LogP4.43
Rot. Bonds2

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

2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine (PubChem CID 119009541) has the molecular formula C8H4Cl2F5N and a molecular weight of 280.02 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
PubChem CID119009541
Molecular FormulaC8H4Cl2F5N
Molecular Weight280.02 g/mol
Exact Mass278.96
IUPAC Name2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1c(Cl)ncc(CCl)c1C(F)(F)F
InChIInChI=1S/C8H4Cl2F5N/c9-1-3-2-16-6(10)4(7(11)12)5(3)8(13,14)15/h2,7H,1H2
InChIKeyKRSKXJPOKDGWEM-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.02
LogP ≤ 54.43
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'}

Analyze 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)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

2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106126
6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 119000260
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
2-[6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118821286
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
2-(chloromethyl)-4-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118804340
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
CID 118850008
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134664093
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine (CID 119009541) is 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine is FC(F)c1c(Cl)ncc(CCl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is KRSKXJPOKDGWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F5N/c9-1-3-2-16-6(10)4(7(11)12)5(3)8(13,14)15/h2,7H,1H2.
What are the key properties of 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 280.02 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 119009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).