3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine

C18H13ClF2N2O — CID 90415678

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine
SMILESFC(F)Oc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O/c19-15-5-1-4-14(9-15)16-8-13(7-12-3-2-6-22-10-12)11-23-17(16)24-18(20)21/h1-6,8-11,18H,7H2
InChIKeyITXKUGBDEJCTGZ-UHFFFAOYSA-N
MW346.76 g/mol
LogP4.99
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine (PubChem CID 90415678) has the molecular formula C18H13ClF2N2O and a molecular weight of 346.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine
PubChem CID90415678
Molecular FormulaC18H13ClF2N2O
Molecular Weight346.76 g/mol
Exact Mass346.07
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine
SMILESFC(F)Oc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O/c19-15-5-1-4-14(9-15)16-8-13(7-12-3-2-6-22-10-12)11-23-17(16)24-18(20)21/h1-6,8-11,18H,7H2
InChIKeyITXKUGBDEJCTGZ-UHFFFAOYSA-N
XLogP4.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)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 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine (CID 90415678) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine is FC(F)Oc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine?
The InChIKey is ITXKUGBDEJCTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O/c19-15-5-1-4-14(9-15)16-8-13(7-12-3-2-6-22-10-12)11-23-17(16)24-18(20)21/h1-6,8-11,18H,7H2.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine has a molecular weight of 346.76 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-3-ylmethyl)pyridine is sourced from PubChem (CID 90415678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).