2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile

C10H12N2OS — CID 114769499

IUPAC2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(SCCCO)n1
InChIInChI=1S/C10H12N2OS/c1-8-5-9(7-11)6-10(12-8)14-4-2-3-13/h5-6,13H,2-4H2,1H3
InChIKeyNDVSGCQYUTWYGO-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile

2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile (PubChem CID 114769499) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile
PubChem CID114769499
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(SCCCO)n1
InChIInChI=1S/C10H12N2OS/c1-8-5-9(7-11)6-10(12-8)14-4-2-3-13/h5-6,13H,2-4H2,1H3
InChIKeyNDVSGCQYUTWYGO-UHFFFAOYSA-N
XLogP1.74
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-methylpyrimidin-4-yl)sulfanylethanol
CID 62481203
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
4-(3-hydroxypropylsulfanylmethyl)-3-methylbenzonitrile
CID 114484031
2-[2-[(4-cyano-6-methyl-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114768274
ethane;2-ethyl-6-methylpyridine-4-carbonitrile
CID 142101388
2-chloro-6-(3-hydroxy-2-methylpropyl)sulfanylpyridine-4-carbonitrile
CID 83076860
2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpentan-1-ol
CID 102926705
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pentanoic acid
CID 102924386
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 31905536
5-(4-amino-6-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 60613840
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
4-(3-hydroxypropylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052310

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile (CID 114769499) is 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(SCCCO)n1.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile?
The InChIKey is NDVSGCQYUTWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8-5-9(7-11)6-10(12-8)14-4-2-3-13/h5-6,13H,2-4H2,1H3.
What are the key properties of 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile?
2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).