6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile

C14H9Cl2N3S — CID 2745258

IUPAC6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(/C=N/c2ccc(Cl)cc2Cl)ccc1C#N
InChIInChI=1S/C14H9Cl2N3S/c1-20-14-9(7-17)2-4-11(19-14)8-18-13-5-3-10(15)6-12(13)16/h2-6,8H,1H3/b18-8+
InChIKeyODBDXVSHJPSMQF-QGMBQPNBSA-N
MW322.22 g/mol
LogP4.73
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile

6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 2745258) has the molecular formula C14H9Cl2N3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID2745258
Molecular FormulaC14H9Cl2N3S
Molecular Weight322.22 g/mol
Exact Mass320.99
IUPAC Name6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(/C=N/c2ccc(Cl)cc2Cl)ccc1C#N
InChIInChI=1S/C14H9Cl2N3S/c1-20-14-9(7-17)2-4-11(19-14)8-18-13-5-3-10(15)6-12(13)16/h2-6,8H,1H3/b18-8+
InChIKeyODBDXVSHJPSMQF-QGMBQPNBSA-N
XLogP4.73
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile (CID 2745258) is 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(/C=N/c2ccc(Cl)cc2Cl)ccc1C#N.
What is the InChIKey of 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is ODBDXVSHJPSMQF-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H9Cl2N3S/c1-20-14-9(7-17)2-4-11(19-14)8-18-13-5-3-10(15)6-12(13)16/h2-6,8H,1H3/b18-8+.
What are the key properties of 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile?
6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 322.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)iminomethyl]-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2745258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).