2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile

C12H10ClN3S — CID 83072800

IUPAC2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(Cc1ccsc1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H10ClN3S/c1-16(7-9-2-3-17-8-9)12-5-10(6-14)4-11(13)15-12/h2-5,8H,7H2,1H3
InChIKeyLJDHHQVHZPIJGA-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile

2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 83072800) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID83072800
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(Cc1ccsc1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H10ClN3S/c1-16(7-9-2-3-17-8-9)12-5-10(6-14)4-11(13)15-12/h2-5,8H,7H2,1H3
InChIKeyLJDHHQVHZPIJGA-UHFFFAOYSA-N
XLogP3.30
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-6-chloropyridine-4-carbonitrile
CID 83074694
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83074339
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 60678010
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
2-chloro-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 43528045
5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103915087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile (CID 83072800) is 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile is CN(Cc1ccsc1)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is LJDHHQVHZPIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-16(7-9-2-3-17-8-9)12-5-10(6-14)4-11(13)15-12/h2-5,8H,7H2,1H3.
What are the key properties of 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83072800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).