2,3-dichloro-1H-pyridin-2-amine

C5H6Cl2N2 — CID 150431324

IUPAC2,3-dichloro-1H-pyridin-2-amine
SMILESNC1(Cl)NC=CC=C1Cl
InChIInChI=1S/C5H6Cl2N2/c6-4-2-1-3-9-5(4,7)8/h1-3,9H,8H2
InChIKeyHJVKFDNHEVSHOQ-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.08
Rot. Bonds

About 2,3-dichloro-1H-pyridin-2-amine

2,3-dichloro-1H-pyridin-2-amine (PubChem CID 150431324) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 2,3-dichloro-1H-pyridin-2-amine.

Molecular Properties

Compound Name2,3-dichloro-1H-pyridin-2-amine
PubChem CID150431324
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name2,3-dichloro-1H-pyridin-2-amine
SMILESNC1(Cl)NC=CC=C1Cl
InChIInChI=1S/C5H6Cl2N2/c6-4-2-1-3-9-5(4,7)8/h1-3,9H,8H2
InChIKeyHJVKFDNHEVSHOQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1H-pyridin-2-amine?
The IUPAC name of 2,3-dichloro-1H-pyridin-2-amine (CID 150431324) is 2,3-dichloro-1H-pyridin-2-amine.
What is the SMILES notation for 2,3-dichloro-1H-pyridin-2-amine?
The canonical SMILES for 2,3-dichloro-1H-pyridin-2-amine is NC1(Cl)NC=CC=C1Cl.
What is the InChIKey of 2,3-dichloro-1H-pyridin-2-amine?
The InChIKey is HJVKFDNHEVSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c6-4-2-1-3-9-5(4,7)8/h1-3,9H,8H2.
What are the key properties of 2,3-dichloro-1H-pyridin-2-amine?
2,3-dichloro-1H-pyridin-2-amine has a molecular weight of 165.02 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1H-pyridin-2-amine is sourced from PubChem (CID 150431324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).