1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol

C15H13NOS — CID 115796747

IUPAC1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H13NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h2-9,15,17H,1H3
InChIKeyVUTHYDJCWQIEQX-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.69
Rot. Bonds2

About 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol

1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol (PubChem CID 115796747) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
PubChem CID115796747
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H13NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h2-9,15,17H,1H3
InChIKeyVUTHYDJCWQIEQX-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 105096887
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63928114
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol (CID 115796747) is 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2cc3ccccc3s2)cn1.
What is the InChIKey of 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol?
The InChIKey is VUTHYDJCWQIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-6-7-12(9-16-10)15(17)14-8-11-4-2-3-5-13(11)18-14/h2-9,15,17H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol?
1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol has a molecular weight of 255.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115796747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).