4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile

C15H14N2OS — CID 64692091

IUPAC4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)Cc2ccnc(C#N)c2)c(C)c1
InChIInChI=1S/C15H14N2OS/c1-11-3-4-15(12(2)7-11)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,10H2,1-2H3
InChIKeyXUUCMPKLQULJRP-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.88
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile

4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile (PubChem CID 64692091) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile
PubChem CID64692091
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)Cc2ccnc(C#N)c2)c(C)c1
InChIInChI=1S/C15H14N2OS/c1-11-3-4-15(12(2)7-11)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,10H2,1-2H3
InChIKeyXUUCMPKLQULJRP-UHFFFAOYSA-N
XLogP2.88
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64692489
4-[(2-amino-5-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 81207543
4-[(4-bromophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64691308
4-[(4-aminophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 63881039
4-(3-methoxypropylsulfinylmethyl)pyridine-2-carbonitrile
CID 64689814
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(2,5-dimethylphenyl)sulfinylmethyl]benzonitrile
CID 64691074
4-[(2-amino-4-methylphenyl)sulfonylmethyl]pyridine-2-carbonitrile
CID 81191591
4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63883310
4-[(6-amino-1,3-benzothiazol-2-yl)sulfinylmethyl]pyridine-2-carbonitrile
CID 63880653
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072
4-[(6-amino-1H-benzimidazol-2-yl)sulfinylmethyl]pyridine-2-carbonitrile
CID 63880844

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile (CID 64692091) is 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile is Cc1ccc(S(=O)Cc2ccnc(C#N)c2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The InChIKey is XUUCMPKLQULJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-3-4-15(12(2)7-11)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,10H2,1-2H3.
What are the key properties of 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 64692091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).