(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol

C16H12ClNOS — CID 56672368

IUPAC(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
SMILESOC(c1cccnc1)(c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNOS/c17-15-6-2-1-5-14(15)16(19,13-7-9-20-11-13)12-4-3-8-18-10-12/h1-11,19H
InChIKeyVJVUSZUNQZNQSM-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.08
Rot. Bonds3

About (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol

(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol (PubChem CID 56672368) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
PubChem CID56672368
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
SMILESOC(c1cccnc1)(c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNOS/c17-15-6-2-1-5-14(15)16(19,13-7-9-20-11-13)12-4-3-8-18-10-12/h1-11,19H
InChIKeyVJVUSZUNQZNQSM-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol?
The IUPAC name of (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol (CID 56672368) is (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol is OC(c1cccnc1)(c1ccsc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol?
The InChIKey is VJVUSZUNQZNQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-15-6-2-1-5-14(15)16(19,13-7-9-20-11-13)12-4-3-8-18-10-12/h1-11,19H.
What are the key properties of (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol?
(2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol has a molecular weight of 301.80 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol is sourced from PubChem (CID 56672368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).