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

C22H14ClF2NOS — CID 24745753

IUPAC[2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1cccc(Cl)c1
InChIInChI=1S/C22H14ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-12,21,27H
InChIKeyVTCKSPVRWNHYMM-UHFFFAOYSA-N
MW413.88 g/mol
LogP6.49
Rot. Bonds4

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

[2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745753) has the molecular formula C22H14ClF2NOS and a molecular weight of 413.88 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745753
Molecular FormulaC22H14ClF2NOS
Molecular Weight413.88 g/mol
Exact Mass413.05
IUPAC Name[2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1cccc(Cl)c1
InChIInChI=1S/C22H14ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-12,21,27H
InChIKeyVTCKSPVRWNHYMM-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 [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24745753) is [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is VTCKSPVRWNHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NOS/c23-15-5-1-3-13(9-15)22-20(21(27)14-4-2-8-26-11-14)18(12-28-22)17-7-6-16(24)10-19(17)25/h1-12,21,27H.
What are the key properties of [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2-(3-chlorophenyl)-4-(2,4-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 [2-(3-chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).