[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol

C12H11ClN2OS — CID 80650607

IUPAC[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H11ClN2OS/c1-8-4-9(7-16)5-15-12(8)17-11-3-2-10(13)6-14-11/h2-6,16H,7H2,1H3
InChIKeyQMWOXJGSMXKNPG-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.08
Rot. Bonds3

About [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol

[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol (PubChem CID 80650607) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
PubChem CID80650607
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H11ClN2OS/c1-8-4-9(7-16)5-15-12(8)17-11-3-2-10(13)6-14-11/h2-6,16H,7H2,1H3
InChIKeyQMWOXJGSMXKNPG-UHFFFAOYSA-N
XLogP3.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol with MolForge

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Related Compounds

1-[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]butan-2-amine
CID 80644336
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
CID 80651280
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651358
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651203
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol
CID 80639648
methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 114047780
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
CID 80640130
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895

Frequently Asked Questions

What is the IUPAC name of [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol (CID 80650607) is [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Sc1ccc(Cl)cn1.
What is the InChIKey of [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The InChIKey is QMWOXJGSMXKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-4-9(7-16)5-15-12(8)17-11-3-2-10(13)6-14-11/h2-6,16H,7H2,1H3.
What are the key properties of [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol has a molecular weight of 266.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80650607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).