[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

C22H14ClF2NOS — CID 24744632

IUPAC[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(Cl)c2)csc1-c1cc(F)cc(F)c1
InChIInChI=1S/C22H14ClF2NOS/c23-16-5-1-3-13(7-16)19-12-28-22(15-8-17(24)10-18(25)9-15)20(19)21(27)14-4-2-6-26-11-14/h1-12,21,27H
InChIKeyVUMBXMRAEWAEFD-UHFFFAOYSA-N
MW413.88 g/mol
LogP6.49
Rot. Bonds4

About [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24744632) has the molecular formula C22H14ClF2NOS and a molecular weight of 413.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24744632
Molecular FormulaC22H14ClF2NOS
Molecular Weight413.88 g/mol
Exact Mass413.05
IUPAC Name[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccc(Cl)c2)csc1-c1cc(F)cc(F)c1
InChIInChI=1S/C22H14ClF2NOS/c23-16-5-1-3-13(7-16)19-12-28-22(15-8-17(24)10-18(25)9-15)20(19)21(27)14-4-2-6-26-11-14/h1-12,21,27H
InChIKeyVUMBXMRAEWAEFD-UHFFFAOYSA-N
XLogP6.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.88
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24744632) is [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2cccc(Cl)c2)csc1-c1cc(F)cc(F)c1.
What is the InChIKey of [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is VUMBXMRAEWAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NOS/c23-16-5-1-3-13(7-16)19-12-28-22(15-8-17(24)10-18(25)9-15)20(19)21(27)14-4-2-6-26-11-14/h1-12,21,27H.
What are the key properties of [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 413.88 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24744632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).