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

C16H12ClNOS — CID 56669296

IUPAC(2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1cccnc1)(c1cccs1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNOS/c17-14-7-2-1-6-13(14)16(19,15-8-4-10-20-15)12-5-3-9-18-11-12/h1-11,19H
InChIKeyPUMMAVTYCCMVRH-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.08
Rot. Bonds3

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

(2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (PubChem CID 56669296) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
PubChem CID56669296
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name(2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1cccnc1)(c1cccs1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNOS/c17-14-7-2-1-6-13(14)16(19,15-8-4-10-20-15)12-5-3-9-18-11-12/h1-11,19H
InChIKeyPUMMAVTYCCMVRH-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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Related Compounds

tripyridin-3-ylmethanol
CID 177395677
2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
CID 162511519
(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
CID 56675903
(4-chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
(2-chlorophenyl)-pyridin-2-yl-pyrimidin-5-ylmethanol
CID 56658930
bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
CID 56682755
4-(hydroxy-phenyl-pyridin-3-ylmethyl)phenol
CID 91752041
2-[dichloro(phenyl)methyl]thiophene
CID 12792430
(4-chloro-2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56679210
(2-chlorophenyl)-(4-chlorophenyl)-(1-oxidopyrimidin-1-ium-5-yl)methanol
CID 56679448
1,1,2-tripyridin-3-ylethanol
CID 57425683
dichloro(pyridin-3-yl)methanamine
CID 139997720

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The IUPAC name of (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (CID 56669296) is (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol is OC(c1cccnc1)(c1cccs1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The InChIKey is PUMMAVTYCCMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-14-7-2-1-6-13(14)16(19,15-8-4-10-20-15)12-5-3-9-18-11-12/h1-11,19H.
What are the key properties of (2-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
(2-chlorophenyl)-pyridin-3-yl-thiophen-2-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-2-ylmethanol is sourced from PubChem (CID 56669296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).