5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

C14H10Cl2F3NO — CID 66692587

IUPAC5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ncc(Cl)cc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO/c1-8(14(17,18)19)21-13-12(6-11(16)7-20-13)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyWKSSLFLVYJZACG-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.39
Rot. Bonds3

About 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 66692587) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID66692587
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ncc(Cl)cc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO/c1-8(14(17,18)19)21-13-12(6-11(16)7-20-13)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyWKSSLFLVYJZACG-UHFFFAOYSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 66692587) is 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is CC(Oc1ncc(Cl)cc1-c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is WKSSLFLVYJZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c1-8(14(17,18)19)21-13-12(6-11(16)7-20-13)9-2-4-10(15)5-3-9/h2-8H,1H3.
What are the key properties of 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 336.14 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 66692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).