3-(5-amino-6-chloropyridazin-3-yl)phenol

C10H8ClN3O — CID 117127144

IUPAC3-(5-amino-6-chloropyridazin-3-yl)phenol
SMILESNc1cc(-c2cccc(O)c2)nnc1Cl
InChIInChI=1S/C10H8ClN3O/c11-10-8(12)5-9(13-14-10)6-2-1-3-7(15)4-6/h1-5,15H,(H2,12,13)
InChIKeyZSSKJGVNVFQSAG-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.08
Rot. Bonds1

About 3-(5-amino-6-chloropyridazin-3-yl)phenol

3-(5-amino-6-chloropyridazin-3-yl)phenol (PubChem CID 117127144) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-(5-amino-6-chloropyridazin-3-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-6-chloropyridazin-3-yl)phenol
PubChem CID117127144
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-(5-amino-6-chloropyridazin-3-yl)phenol
SMILESNc1cc(-c2cccc(O)c2)nnc1Cl
InChIInChI=1S/C10H8ClN3O/c11-10-8(12)5-9(13-14-10)6-2-1-3-7(15)4-6/h1-5,15H,(H2,12,13)
InChIKeyZSSKJGVNVFQSAG-UHFFFAOYSA-N
XLogP2.08
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-chloropyridazin-3-yl)phenol?
The IUPAC name of 3-(5-amino-6-chloropyridazin-3-yl)phenol (CID 117127144) is 3-(5-amino-6-chloropyridazin-3-yl)phenol.
What is the SMILES notation for 3-(5-amino-6-chloropyridazin-3-yl)phenol?
The canonical SMILES for 3-(5-amino-6-chloropyridazin-3-yl)phenol is Nc1cc(-c2cccc(O)c2)nnc1Cl.
What is the InChIKey of 3-(5-amino-6-chloropyridazin-3-yl)phenol?
The InChIKey is ZSSKJGVNVFQSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-10-8(12)5-9(13-14-10)6-2-1-3-7(15)4-6/h1-5,15H,(H2,12,13).
What are the key properties of 3-(5-amino-6-chloropyridazin-3-yl)phenol?
3-(5-amino-6-chloropyridazin-3-yl)phenol has a molecular weight of 221.65 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-chloropyridazin-3-yl)phenol is sourced from PubChem (CID 117127144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).