3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C9H12ClNOS — CID 79840245

IUPAC3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ccncc1Cl
InChIInChI=1S/C9H12ClNOS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6H2,1H3
InChIKeyLFQDWMOJMQSEJY-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.46
Rot. Bonds4

About 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol

3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 79840245) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID79840245
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ccncc1Cl
InChIInChI=1S/C9H12ClNOS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6H2,1H3
InChIKeyLFQDWMOJMQSEJY-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol
CID 66105549
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
3-chloro-4-propan-2-ylsulfanylpyridine
CID 23436924
(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane
CID 174288236
2-methyl-3-quinolin-4-ylsulfanylpropan-1-ol
CID 66105524
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
2-chloro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzonitrile
CID 66105509
3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 114865683
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 79840245) is 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1ccncc1Cl.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is LFQDWMOJMQSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 217.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 79840245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).