4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile

C10H12N2S — CID 81052061

IUPAC4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCCSc1cc(C)nc(C)c1C#N
InChIInChI=1S/C10H12N2S/c1-4-13-10-5-7(2)12-8(3)9(10)6-11/h5H,4H2,1-3H3
InChIKeyANMKZJBMNDRQOV-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.68
Rot. Bonds2

About 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile

4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052061) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052061
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCCSc1cc(C)nc(C)c1C#N
InChIInChI=1S/C10H12N2S/c1-4-13-10-5-7(2)12-8(3)9(10)6-11/h5H,4H2,1-3H3
InChIKeyANMKZJBMNDRQOV-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carbonitrile
CID 81051993
4-ethylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053869
methyl 2-[1-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107776851
2,6-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 81052298
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052450
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
2,4-bis(ethylsulfanyl)-3,6-dimethylpyridine
CID 20755341
2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 133396948
2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
CID 81061203
6-ethyl-2,4-dimethylpyridine-3-carbonitrile
CID 88990253
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052296
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile (CID 81052061) is 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile is CCSc1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ANMKZJBMNDRQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-4-13-10-5-7(2)12-8(3)9(10)6-11/h5H,4H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile?
4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).