3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine

C19H15ClF2N2O — CID 86304918

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C19H15ClF2N2O/c1-12-5-6-13(10-23-12)7-14-8-17(15-3-2-4-16(20)9-15)18(24-11-14)25-19(21)22/h2-6,8-11,19H,7H2,1H3
InChIKeyUVZFPKKCTFUSOS-UHFFFAOYSA-N
MW360.79 g/mol
LogP5.30
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine (PubChem CID 86304918) has the molecular formula C19H15ClF2N2O and a molecular weight of 360.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
PubChem CID86304918
Molecular FormulaC19H15ClF2N2O
Molecular Weight360.79 g/mol
Exact Mass360.08
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C19H15ClF2N2O/c1-12-5-6-13(10-23-12)7-14-8-17(15-3-2-4-16(20)9-15)18(24-11-14)25-19(21)22/h2-6,8-11,19H,7H2,1H3
InChIKeyUVZFPKKCTFUSOS-UHFFFAOYSA-N
XLogP5.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.79
LogP ≤ 55.30
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-[(6-methyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine (CID 86304918) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine is Cc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine?
The InChIKey is UVZFPKKCTFUSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O/c1-12-5-6-13(10-23-12)7-14-8-17(15-3-2-4-16(20)9-15)18(24-11-14)25-19(21)22/h2-6,8-11,19H,7H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine has a molecular weight of 360.79 g/mol, XLogP of 5.30, 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-[(6-methyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 86304918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).