4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile

C14H12N2O2S — CID 64692489

IUPAC4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESCOc1ccccc1S(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C14H12N2O2S/c1-18-13-4-2-3-5-14(13)19(17)10-11-6-7-16-12(8-11)9-15/h2-8H,10H2,1H3
InChIKeyFWPQPYMCWJMVJG-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.27
Rot. Bonds4

About 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile

4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile (PubChem CID 64692489) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
PubChem CID64692489
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESCOc1ccccc1S(=O)Cc1ccnc(C#N)c1
InChIInChI=1S/C14H12N2O2S/c1-18-13-4-2-3-5-14(13)19(17)10-11-6-7-16-12(8-11)9-15/h2-8H,10H2,1H3
InChIKeyFWPQPYMCWJMVJG-UHFFFAOYSA-N
XLogP2.27
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-5-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 81207543
4-[(2,4-dimethylphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64692091
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-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
(2-cyano-4-pyridinyl)methyl 2-amino-6-methoxybenzoate
CID 81395074
2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534
4-[[(S)-(2-methoxyphenyl)sulfinyl]methyl]-1-phenylpyrazole
CID 97000917
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
5-[(2-amino-3-methylphenyl)sulfinylmethyl]-2-methoxybenzonitrile
CID 81187266

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile (CID 64692489) is 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile is COc1ccccc1S(=O)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The InChIKey is FWPQPYMCWJMVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-13-4-2-3-5-14(13)19(17)10-11-6-7-16-12(8-11)9-15/h2-8H,10H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile?
4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 64692489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).