6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine

C10H9ClN4 — CID 53486868

IUPAC6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccccn1
InChIInChI=1S/C10H9ClN4/c11-8-5-4-7(12)10(14-8)15-9-3-1-2-6-13-9/h1-6H,12H2,(H,13,14,15)
InChIKeySXYCQZZLEXIBAT-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.46
Rot. Bonds2

About 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine

6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine (PubChem CID 53486868) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
PubChem CID53486868
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccccn1
InChIInChI=1S/C10H9ClN4/c11-8-5-4-7(12)10(14-8)15-9-3-1-2-6-13-9/h1-6H,12H2,(H,13,14,15)
InChIKeySXYCQZZLEXIBAT-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine 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 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine (CID 53486868) is 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1ccccn1.
What is the InChIKey of 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine?
The InChIKey is SXYCQZZLEXIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-8-5-4-7(12)10(14-8)15-9-3-1-2-6-13-9/h1-6H,12H2,(H,13,14,15).
What are the key properties of 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine?
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine has a molecular weight of 220.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 53486868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).