5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile

C11H7ClN4 — CID 171351160

IUPAC5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(N)nc2)cnc1Cl
InChIInChI=1S/C11H7ClN4/c12-11-8(4-13)3-9(6-16-11)7-1-2-10(14)15-5-7/h1-3,5-6H,(H2,14,15)
InChIKeyHOTVBPKZXBNYFL-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.25
Rot. Bonds1

About 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile

5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile (PubChem CID 171351160) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
PubChem CID171351160
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(N)nc2)cnc1Cl
InChIInChI=1S/C11H7ClN4/c12-11-8(4-13)3-9(6-16-11)7-1-2-10(14)15-5-7/h1-3,5-6H,(H2,14,15)
InChIKeyHOTVBPKZXBNYFL-UHFFFAOYSA-N
XLogP2.25
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-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 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile?
The IUPAC name of 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile (CID 171351160) is 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile is N#Cc1cc(-c2ccc(N)nc2)cnc1Cl.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile?
The InChIKey is HOTVBPKZXBNYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-11-8(4-13)3-9(6-16-11)7-1-2-10(14)15-5-7/h1-3,5-6H,(H2,14,15).
What are the key properties of 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile?
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile has a molecular weight of 230.66 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile is sourced from PubChem (CID 171351160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).