2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine

C12H7Cl2F2N — CID 67728886

IUPAC2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine
SMILESFC(F)(Cl)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2F2N/c13-9-5-3-8(4-6-9)10-2-1-7-17-11(10)12(14,15)16/h1-7H
InChIKeyIYTOWTQEQTZCKJ-UHFFFAOYSA-N
MW274.10 g/mol
LogP4.69
Rot. Bonds2

About 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine

2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine (PubChem CID 67728886) has the molecular formula C12H7Cl2F2N and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine
PubChem CID67728886
Molecular FormulaC12H7Cl2F2N
Molecular Weight274.10 g/mol
Exact Mass272.99
IUPAC Name2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine
SMILESFC(F)(Cl)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2F2N/c13-9-5-3-8(4-6-9)10-2-1-7-17-11(10)12(14,15)16/h1-7H
InChIKeyIYTOWTQEQTZCKJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine?
The IUPAC name of 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine (CID 67728886) is 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine?
The canonical SMILES for 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine is FC(F)(Cl)c1ncccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine?
The InChIKey is IYTOWTQEQTZCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N/c13-9-5-3-8(4-6-9)10-2-1-7-17-11(10)12(14,15)16/h1-7H.
What are the key properties of 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine?
2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine has a molecular weight of 274.10 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]-3-(4-chlorophenyl)pyridine is sourced from PubChem (CID 67728886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).