3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine

C19H16ClF2NOS — CID 90440716

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine
SMILESCc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1
InChIInChI=1S/C19H16ClF2NOS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22/h3-7,9-10,19H,8H2,1-2H3
InChIKeyJTAOIBNRSSDFIJ-UHFFFAOYSA-N
MW379.86 g/mol
LogP6.27
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine (PubChem CID 90440716) has the molecular formula C19H16ClF2NOS and a molecular weight of 379.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine
PubChem CID90440716
Molecular FormulaC19H16ClF2NOS
Molecular Weight379.86 g/mol
Exact Mass379.06
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine
SMILESCc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1
InChIInChI=1S/C19H16ClF2NOS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22/h3-7,9-10,19H,8H2,1-2H3
InChIKeyJTAOIBNRSSDFIJ-UHFFFAOYSA-N
XLogP6.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.86
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]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-[(3,5-dimethylthiophen-2-yl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine (CID 90440716) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine is Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine?
The InChIKey is JTAOIBNRSSDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2NOS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine has a molecular weight of 379.86 g/mol, XLogP of 6.27, 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-[(3,5-dimethylthiophen-2-yl)methyl]pyridine is sourced from PubChem (CID 90440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).