6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile

C11H8ClN3S — CID 62196141

IUPAC6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)s2)ccc1C#N
InChIInChI=1S/C11H8ClN3S/c1-14-11-7(6-13)2-3-8(15-11)9-4-5-10(12)16-9/h2-5H,1H3,(H,14,15)
InChIKeyVTSIVAXQSBRMTM-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.38
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile

6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 62196141) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID62196141
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)s2)ccc1C#N
InChIInChI=1S/C11H8ClN3S/c1-14-11-7(6-13)2-3-8(15-11)9-4-5-10(12)16-9/h2-5H,1H3,(H,14,15)
InChIKeyVTSIVAXQSBRMTM-UHFFFAOYSA-N
XLogP3.38
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile (CID 62196141) is 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(Cl)s2)ccc1C#N.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is VTSIVAXQSBRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-14-11-7(6-13)2-3-8(15-11)9-4-5-10(12)16-9/h2-5H,1H3,(H,14,15).
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile?
6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 249.73 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62196141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).