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

C18H13ClF2N2O — CID 90417189

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine
SMILESFC(F)Oc1ncc(Cc2ccccn2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O/c19-14-5-3-4-13(10-14)16-9-12(8-15-6-1-2-7-22-15)11-23-17(16)24-18(20)21/h1-7,9-11,18H,8H2
InChIKeyUNXOANBCRTYSCI-UHFFFAOYSA-N
MW346.76 g/mol
LogP4.99
Rot. Bonds5

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

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine (PubChem CID 90417189) 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-2-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine
PubChem CID90417189
Molecular FormulaC18H13ClF2N2O
Molecular Weight346.76 g/mol
Exact Mass346.07
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine
SMILESFC(F)Oc1ncc(Cc2ccccn2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H13ClF2N2O/c19-14-5-3-4-13(10-14)16-9-12(8-15-6-1-2-7-22-15)11-23-17(16)24-18(20)21/h1-7,9-11,18H,8H2
InChIKeyUNXOANBCRTYSCI-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine (CID 90417189) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine is FC(F)Oc1ncc(Cc2ccccn2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine?
The InChIKey is UNXOANBCRTYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O/c19-14-5-3-4-13(10-14)16-9-12(8-15-6-1-2-7-22-15)11-23-17(16)24-18(20)21/h1-7,9-11,18H,8H2.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-ylmethyl)pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(pyridin-2-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-2-ylmethyl)pyridine is sourced from PubChem (CID 90417189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).