5,6-dichloropyridin-3-amine

C5H4Cl2N2 — CID 14595219

IUPAC5,6-dichloropyridin-3-amine
SMILESNc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKeyXTCHZNJJTQACES-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.97
Rot. Bonds

About 5,6-dichloropyridin-3-amine

5,6-dichloropyridin-3-amine (PubChem CID 14595219) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 5,6-dichloropyridin-3-amine.

Molecular Properties

Compound Name5,6-dichloropyridin-3-amine
PubChem CID14595219
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name5,6-dichloropyridin-3-amine
SMILESNc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKeyXTCHZNJJTQACES-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5,6-dichloropyridin-3-amine?
The IUPAC name of 5,6-dichloropyridin-3-amine (CID 14595219) is 5,6-dichloropyridin-3-amine.
What is the SMILES notation for 5,6-dichloropyridin-3-amine?
The canonical SMILES for 5,6-dichloropyridin-3-amine is Nc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloropyridin-3-amine?
The InChIKey is XTCHZNJJTQACES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2.
What are the key properties of 5,6-dichloropyridin-3-amine?
5,6-dichloropyridin-3-amine has a molecular weight of 163.01 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyridin-3-amine is sourced from PubChem (CID 14595219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).