3-chloro-2H-pyridine-2,3-diamine

C5H8ClN3 — CID 150330273

IUPAC3-chloro-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)Cl
InChIInChI=1S/C5H8ClN3/c6-5(8)2-1-3-9-4(5)7/h1-4H,7-8H2
InChIKeyGPMZLGCMNYKCHE-UHFFFAOYSA-N
MW145.59 g/mol
LogP-0.19
Rot. Bonds

About 3-chloro-2H-pyridine-2,3-diamine

3-chloro-2H-pyridine-2,3-diamine (PubChem CID 150330273) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 3-chloro-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-chloro-2H-pyridine-2,3-diamine
PubChem CID150330273
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name3-chloro-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)Cl
InChIInChI=1S/C5H8ClN3/c6-5(8)2-1-3-9-4(5)7/h1-4H,7-8H2
InChIKeyGPMZLGCMNYKCHE-UHFFFAOYSA-N
XLogP-0.19
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-chloro-2H-pyridine-2,3-diamine?
The IUPAC name of 3-chloro-2H-pyridine-2,3-diamine (CID 150330273) is 3-chloro-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-chloro-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-chloro-2H-pyridine-2,3-diamine is NC1N=CC=CC1(N)Cl.
What is the InChIKey of 3-chloro-2H-pyridine-2,3-diamine?
The InChIKey is GPMZLGCMNYKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c6-5(8)2-1-3-9-4(5)7/h1-4H,7-8H2.
What are the key properties of 3-chloro-2H-pyridine-2,3-diamine?
3-chloro-2H-pyridine-2,3-diamine has a molecular weight of 145.59 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-pyridine-2,3-diamine is sourced from PubChem (CID 150330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).