2,3-dichloropyridin-4-amine

C5H4Cl2N2 — CID 595728

IUPAC2,3-dichloropyridin-4-amine
SMILESNc1ccnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
InChIKeyDVUKWILERQFZFC-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.97
Rot. Bonds

About 2,3-dichloropyridin-4-amine

2,3-dichloropyridin-4-amine (PubChem CID 595728) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 2,3-dichloropyridin-4-amine.

Molecular Properties

Compound Name2,3-dichloropyridin-4-amine
PubChem CID595728
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name2,3-dichloropyridin-4-amine
SMILESNc1ccnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
InChIKeyDVUKWILERQFZFC-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 2,3-dichloropyridin-4-amine?
The IUPAC name of 2,3-dichloropyridin-4-amine (CID 595728) is 2,3-dichloropyridin-4-amine.
What is the SMILES notation for 2,3-dichloropyridin-4-amine?
The canonical SMILES for 2,3-dichloropyridin-4-amine is Nc1ccnc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloropyridin-4-amine?
The InChIKey is DVUKWILERQFZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9).
What are the key properties of 2,3-dichloropyridin-4-amine?
2,3-dichloropyridin-4-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 2,3-dichloropyridin-4-amine is sourced from PubChem (CID 595728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).