[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

C22H14Cl2FNOS — CID 24745924

IUPAC[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)csc1-c1cccc(Cl)c1
InChIInChI=1S/C22H14Cl2FNOS/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
InChIKeyQGRQXAKVHZDEOQ-UHFFFAOYSA-N
MW430.33 g/mol
LogP7.00
Rot. Bonds4

About [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745924) has the molecular formula C22H14Cl2FNOS and a molecular weight of 430.33 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745924
Molecular FormulaC22H14Cl2FNOS
Molecular Weight430.33 g/mol
Exact Mass429.02
IUPAC Name[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)csc1-c1cccc(Cl)c1
InChIInChI=1S/C22H14Cl2FNOS/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
InChIKeyQGRQXAKVHZDEOQ-UHFFFAOYSA-N
XLogP7.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.33
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24745924) is [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)csc1-c1cccc(Cl)c1.
What is the InChIKey of [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is QGRQXAKVHZDEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FNOS/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 [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 430.33 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).