4-chloro-3-pyridazin-3-ylaniline

C10H8ClN3 — CID 169176146

IUPAC4-chloro-3-pyridazin-3-ylaniline
SMILESNc1ccc(Cl)c(-c2cccnn2)c1
InChIInChI=1S/C10H8ClN3/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2
InChIKeyGHEHGKQYTOSAQE-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.38
Rot. Bonds1

About 4-chloro-3-pyridazin-3-ylaniline

4-chloro-3-pyridazin-3-ylaniline (PubChem CID 169176146) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 4-chloro-3-pyridazin-3-ylaniline.

Molecular Properties

Compound Name4-chloro-3-pyridazin-3-ylaniline
PubChem CID169176146
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name4-chloro-3-pyridazin-3-ylaniline
SMILESNc1ccc(Cl)c(-c2cccnn2)c1
InChIInChI=1S/C10H8ClN3/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2
InChIKeyGHEHGKQYTOSAQE-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 4-chloro-3-pyridazin-3-ylaniline?
The IUPAC name of 4-chloro-3-pyridazin-3-ylaniline (CID 169176146) is 4-chloro-3-pyridazin-3-ylaniline.
What is the SMILES notation for 4-chloro-3-pyridazin-3-ylaniline?
The canonical SMILES for 4-chloro-3-pyridazin-3-ylaniline is Nc1ccc(Cl)c(-c2cccnn2)c1.
What is the InChIKey of 4-chloro-3-pyridazin-3-ylaniline?
The InChIKey is GHEHGKQYTOSAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-14-10/h1-6H,12H2.
What are the key properties of 4-chloro-3-pyridazin-3-ylaniline?
4-chloro-3-pyridazin-3-ylaniline 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 4-chloro-3-pyridazin-3-ylaniline is sourced from PubChem (CID 169176146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).