4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine

C17H9Cl2F2N — CID 54339952

IUPAC4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine
SMILESFc1cc(F)cc(-c2cc(-c3ccc(Cl)cc3Cl)ccn2)c1
InChIInChI=1S/C17H9Cl2F2N/c18-12-1-2-15(16(19)8-12)10-3-4-22-17(7-10)11-5-13(20)9-14(21)6-11/h1-9H
InChIKeyXKJGMTNTUMJDQI-UHFFFAOYSA-N
MW336.17 g/mol
LogP6.00
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine

4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine (PubChem CID 54339952) has the molecular formula C17H9Cl2F2N and a molecular weight of 336.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine
PubChem CID54339952
Molecular FormulaC17H9Cl2F2N
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine
SMILESFc1cc(F)cc(-c2cc(-c3ccc(Cl)cc3Cl)ccn2)c1
InChIInChI=1S/C17H9Cl2F2N/c18-12-1-2-15(16(19)8-12)10-3-4-22-17(7-10)11-5-13(20)9-14(21)6-11/h1-9H
InChIKeyXKJGMTNTUMJDQI-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.17
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine (CID 54339952) is 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine is Fc1cc(F)cc(-c2cc(-c3ccc(Cl)cc3Cl)ccn2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine?
The InChIKey is XKJGMTNTUMJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F2N/c18-12-1-2-15(16(19)8-12)10-3-4-22-17(7-10)11-5-13(20)9-14(21)6-11/h1-9H.
What are the key properties of 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine?
4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine has a molecular weight of 336.17 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)pyridine is sourced from PubChem (CID 54339952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).