2,6-dichloropyridine-3,4-diamine

C5H5Cl2N3 — CID 10931987

IUPAC2,6-dichloropyridine-3,4-diamine
SMILESNc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)
InChIKeyHDNVWGXGFBVDKV-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.55
Rot. Bonds

About 2,6-dichloropyridine-3,4-diamine

2,6-dichloropyridine-3,4-diamine (PubChem CID 10931987) has the molecular formula C5H5Cl2N3 and a molecular weight of 178.02 g/mol. Its IUPAC name is 2,6-dichloropyridine-3,4-diamine.

Molecular Properties

Compound Name2,6-dichloropyridine-3,4-diamine
PubChem CID10931987
Molecular FormulaC5H5Cl2N3
Molecular Weight178.02 g/mol
Exact Mass176.99
IUPAC Name2,6-dichloropyridine-3,4-diamine
SMILESNc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)
InChIKeyHDNVWGXGFBVDKV-UHFFFAOYSA-N
XLogP1.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.55
H-Bond Donors ≤ 52
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 2,6-dichloropyridine-3,4-diamine?
The IUPAC name of 2,6-dichloropyridine-3,4-diamine (CID 10931987) is 2,6-dichloropyridine-3,4-diamine.
What is the SMILES notation for 2,6-dichloropyridine-3,4-diamine?
The canonical SMILES for 2,6-dichloropyridine-3,4-diamine is Nc1cc(Cl)nc(Cl)c1N.
What is the InChIKey of 2,6-dichloropyridine-3,4-diamine?
The InChIKey is HDNVWGXGFBVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10).
What are the key properties of 2,6-dichloropyridine-3,4-diamine?
2,6-dichloropyridine-3,4-diamine has a molecular weight of 178.02 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-3,4-diamine is sourced from PubChem (CID 10931987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).