6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile

C8H8ClN3 — CID 21443859

IUPAC6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(Cl)cc(C)c1C#N
InChIInChI=1S/C8H8ClN3/c1-5-3-7(9)12-8(11-2)6(5)4-10/h3H,1-2H3,(H,11,12)
InChIKeyMXQUGEXJUAYHFE-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.96
Rot. Bonds1

About 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile

6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 21443859) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile
PubChem CID21443859
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(Cl)cc(C)c1C#N
InChIInChI=1S/C8H8ClN3/c1-5-3-7(9)12-8(11-2)6(5)4-10/h3H,1-2H3,(H,11,12)
InChIKeyMXQUGEXJUAYHFE-UHFFFAOYSA-N
XLogP1.96
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile (CID 21443859) is 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(Cl)cc(C)c1C#N.
What is the InChIKey of 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is MXQUGEXJUAYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-3-7(9)12-8(11-2)6(5)4-10/h3H,1-2H3,(H,11,12).
What are the key properties of 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile?
6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 181.63 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 21443859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).