[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol

C15H14N2OS — CID 80651696

IUPAC[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-10-6-11(9-18)8-16-15(10)19-14-7-12-4-2-3-5-13(12)17-14/h2-8,17-18H,9H2,1H3
InChIKeySSJJWNQZJGOLKR-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.51
Rot. Bonds3

About [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol

[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol (PubChem CID 80651696) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
PubChem CID80651696
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-10-6-11(9-18)8-16-15(10)19-14-7-12-4-2-3-5-13(12)17-14/h2-8,17-18H,9H2,1H3
InChIKeySSJJWNQZJGOLKR-UHFFFAOYSA-N
XLogP3.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651358
[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
CID 80650607
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
CID 80651280
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
4-(1H-indol-2-ylsulfanyl)-2-methylbenzoic acid
CID 81294256
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989

Frequently Asked Questions

What is the IUPAC name of [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol (CID 80651696) is [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Sc1cc2ccccc2[nH]1.
What is the InChIKey of [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is SSJJWNQZJGOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-11(9-18)8-16-15(10)19-14-7-12-4-2-3-5-13(12)17-14/h2-8,17-18H,9H2,1H3.
What are the key properties of [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol?
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 270.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80651696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).