4,6-dichloropyridin-3-amine

C5H4Cl2N2 — CID 595729

IUPAC4,6-dichloropyridin-3-amine
SMILESNc1cnc(Cl)cc1Cl
InChIInChI=1S/C5H4Cl2N2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2
InChIKeyFBGVTWONYOCYGA-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.97
Rot. Bonds

About 4,6-dichloropyridin-3-amine

4,6-dichloropyridin-3-amine (PubChem CID 595729) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 4,6-dichloropyridin-3-amine.

Molecular Properties

Compound Name4,6-dichloropyridin-3-amine
PubChem CID595729
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name4,6-dichloropyridin-3-amine
SMILESNc1cnc(Cl)cc1Cl
InChIInChI=1S/C5H4Cl2N2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2
InChIKeyFBGVTWONYOCYGA-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 4,6-dichloropyridin-3-amine?
The IUPAC name of 4,6-dichloropyridin-3-amine (CID 595729) is 4,6-dichloropyridin-3-amine.
What is the SMILES notation for 4,6-dichloropyridin-3-amine?
The canonical SMILES for 4,6-dichloropyridin-3-amine is Nc1cnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloropyridin-3-amine?
The InChIKey is FBGVTWONYOCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2.
What are the key properties of 4,6-dichloropyridin-3-amine?
4,6-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 4,6-dichloropyridin-3-amine is sourced from PubChem (CID 595729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).