1-benzothiophen-3-yl(pyridin-3-yl)methanol

C14H11NOS — CID 61087457

IUPAC1-benzothiophen-3-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1csc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14(10-4-3-7-15-8-10)12-9-17-13-6-2-1-5-11(12)13/h1-9,14,16H
InChIKeyALKXUVSGRNMCMQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.38
Rot. Bonds2

About 1-benzothiophen-3-yl(pyridin-3-yl)methanol

1-benzothiophen-3-yl(pyridin-3-yl)methanol (PubChem CID 61087457) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(pyridin-3-yl)methanol
PubChem CID61087457
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-benzothiophen-3-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1csc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14(10-4-3-7-15-8-10)12-9-17-13-6-2-1-5-11(12)13/h1-9,14,16H
InChIKeyALKXUVSGRNMCMQ-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(pyridin-3-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(pyridin-3-yl)methanol (CID 61087457) is 1-benzothiophen-3-yl(pyridin-3-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(pyridin-3-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(pyridin-3-yl)methanol is OC(c1cccnc1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(pyridin-3-yl)methanol?
The InChIKey is ALKXUVSGRNMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14(10-4-3-7-15-8-10)12-9-17-13-6-2-1-5-11(12)13/h1-9,14,16H.
What are the key properties of 1-benzothiophen-3-yl(pyridin-3-yl)methanol?
1-benzothiophen-3-yl(pyridin-3-yl)methanol has a molecular weight of 241.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 61087457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).