6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine

C14H10Cl2F3N — CID 169264832

IUPAC6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine
SMILESCc1ccc(-c2nc(Cl)cc(C(C)F)c2F)c(F)c1Cl
InChIInChI=1S/C14H10Cl2F3N/c1-6-3-4-8(12(18)11(6)16)14-13(19)9(7(2)17)5-10(15)20-14/h3-5,7H,1-2H3
InChIKeyOMZKSIWKYOFWBD-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.67
Rot. Bonds2

About 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine

6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine (PubChem CID 169264832) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine
PubChem CID169264832
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine
SMILESCc1ccc(-c2nc(Cl)cc(C(C)F)c2F)c(F)c1Cl
InChIInChI=1S/C14H10Cl2F3N/c1-6-3-4-8(12(18)11(6)16)14-13(19)9(7(2)17)5-10(15)20-14/h3-5,7H,1-2H3
InChIKeyOMZKSIWKYOFWBD-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine?
The IUPAC name of 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine (CID 169264832) is 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine.
What is the SMILES notation for 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine?
The canonical SMILES for 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine is Cc1ccc(-c2nc(Cl)cc(C(C)F)c2F)c(F)c1Cl.
What is the InChIKey of 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine?
The InChIKey is OMZKSIWKYOFWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c1-6-3-4-8(12(18)11(6)16)14-13(19)9(7(2)17)5-10(15)20-14/h3-5,7H,1-2H3.
What are the key properties of 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine?
6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine has a molecular weight of 320.14 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chloro-2-fluoro-4-methylphenyl)-3-fluoro-4-(1-fluoroethyl)pyridine is sourced from PubChem (CID 169264832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).