3-(6-chloropyridazin-3-yl)aniline

C10H8ClN3 — CID 14280295

IUPAC3-(6-chloropyridazin-3-yl)aniline
SMILESNc1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C10H8ClN3/c11-10-5-4-9(13-14-10)7-2-1-3-8(12)6-7/h1-6H,12H2
InChIKeyAOJRFIYYPMBVPV-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.38
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)aniline

3-(6-chloropyridazin-3-yl)aniline (PubChem CID 14280295) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)aniline.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)aniline
PubChem CID14280295
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name3-(6-chloropyridazin-3-yl)aniline
SMILESNc1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C10H8ClN3/c11-10-5-4-9(13-14-10)7-2-1-3-8(12)6-7/h1-6H,12H2
InChIKeyAOJRFIYYPMBVPV-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)aniline?
The IUPAC name of 3-(6-chloropyridazin-3-yl)aniline (CID 14280295) is 3-(6-chloropyridazin-3-yl)aniline.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)aniline?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)aniline is Nc1cccc(-c2ccc(Cl)nn2)c1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)aniline?
The InChIKey is AOJRFIYYPMBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-10-5-4-9(13-14-10)7-2-1-3-8(12)6-7/h1-6H,12H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)aniline?
3-(6-chloropyridazin-3-yl)aniline has a molecular weight of 205.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)aniline is sourced from PubChem (CID 14280295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).