2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine

C14H12ClF2N — CID 90129092

IUPAC2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine
SMILESCCCc1cc(F)ccc1-c1cc(Cl)ncc1F
InChIInChI=1S/C14H12ClF2N/c1-2-3-9-6-10(16)4-5-11(9)12-7-14(15)18-8-13(12)17/h4-8H,2-3H2,1H3
InChIKeyXXXSHENMWJBXFM-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine

2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine (PubChem CID 90129092) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine
PubChem CID90129092
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine
SMILESCCCc1cc(F)ccc1-c1cc(Cl)ncc1F
InChIInChI=1S/C14H12ClF2N/c1-2-3-9-6-10(16)4-5-11(9)12-7-14(15)18-8-13(12)17/h4-8H,2-3H2,1H3
InChIKeyXXXSHENMWJBXFM-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine (CID 90129092) is 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine is CCCc1cc(F)ccc1-c1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine?
The InChIKey is XXXSHENMWJBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-2-3-9-6-10(16)4-5-11(9)12-7-14(15)18-8-13(12)17/h4-8H,2-3H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine?
2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine has a molecular weight of 267.71 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-fluoro-2-propylphenyl)pyridine is sourced from PubChem (CID 90129092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).