(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol

C16H11Cl2NOS — CID 56672228

IUPAC(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1sccc1Cl
InChIInChI=1S/C16H11Cl2NOS/c17-13-5-3-11(4-6-13)16(20,12-2-1-8-19-10-12)15-14(18)7-9-21-15/h1-10,20H
InChIKeySBBRWRRRYJXEQQ-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.73
Rot. Bonds3

About (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol (PubChem CID 56672228) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol
PubChem CID56672228
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1sccc1Cl
InChIInChI=1S/C16H11Cl2NOS/c17-13-5-3-11(4-6-13)16(20,12-2-1-8-19-10-12)15-14(18)7-9-21-15/h1-10,20H
InChIKeySBBRWRRRYJXEQQ-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol (CID 56672228) is (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1sccc1Cl.
What is the InChIKey of (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
The InChIKey is SBBRWRRRYJXEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c17-13-5-3-11(4-6-13)16(20,12-2-1-8-19-10-12)15-14(18)7-9-21-15/h1-10,20H.
What are the key properties of (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol has a molecular weight of 336.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56672228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).