2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile

C11H12ClN3O — CID 83076352

IUPAC2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
SMILESCC1OCCC1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-7-9(2-3-16-7)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyGOJRLGLBBWJDLO-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile

2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 83076352) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
PubChem CID83076352
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
SMILESCC1OCCC1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-7-9(2-3-16-7)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyGOJRLGLBBWJDLO-UHFFFAOYSA-N
XLogP2.20
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile (CID 83076352) is 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile is CC1OCCC1Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is GOJRLGLBBWJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-9(2-3-16-7)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile has a molecular weight of 237.69 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).