2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile

C11H14ClN3 — CID 83074339

IUPAC2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)CN(C)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H14ClN3/c1-8(2)7-15(3)11-5-9(6-13)4-10(12)14-11/h4-5,8H,7H2,1-3H3
InChIKeyYQNRLBIGAGXLLI-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile

2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 83074339) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
PubChem CID83074339
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)CN(C)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H14ClN3/c1-8(2)7-15(3)11-5-9(6-13)4-10(12)14-11/h4-5,8H,7H2,1-3H3
InChIKeyYQNRLBIGAGXLLI-UHFFFAOYSA-N
XLogP2.70
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442
2-[butyl(methyl)amino]-6-chloropyridine-4-carbonitrile
CID 83074694
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 83076492
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
CID 83074738
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83072800
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
CID 83073662
[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide
CID 115266637
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83076998
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile (CID 83074339) is 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile is CC(C)CN(C)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is YQNRLBIGAGXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8(2)7-15(3)11-5-9(6-13)4-10(12)14-11/h4-5,8H,7H2,1-3H3.
What are the key properties of 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 223.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).