3-chloro-1,6-dihydropyridazin-6-olate

C4H4ClN2O- — CID 102355706

IUPAC3-chloro-1,6-dihydropyridazin-6-olate
SMILES[O-]C1C=CC(Cl)=NN1
InChIInChI=1S/C4H4ClN2O/c5-3-1-2-4(8)7-6-3/h1-2,4,7H/q-1
InChIKeyWQMYMKIFWGXVAQ-UHFFFAOYSA-N
MW131.54 g/mol
LogP-0.62
Rot. Bonds

About 3-chloro-1,6-dihydropyridazin-6-olate

3-chloro-1,6-dihydropyridazin-6-olate (PubChem CID 102355706) has the molecular formula C4H4ClN2O- and a molecular weight of 131.54 g/mol. Its IUPAC name is 3-chloro-1,6-dihydropyridazin-6-olate.

Molecular Properties

Compound Name3-chloro-1,6-dihydropyridazin-6-olate
PubChem CID102355706
Molecular FormulaC4H4ClN2O-
Molecular Weight131.54 g/mol
Exact Mass131.00
IUPAC Name3-chloro-1,6-dihydropyridazin-6-olate
SMILES[O-]C1C=CC(Cl)=NN1
InChIInChI=1S/C4H4ClN2O/c5-3-1-2-4(8)7-6-3/h1-2,4,7H/q-1
InChIKeyWQMYMKIFWGXVAQ-UHFFFAOYSA-N
XLogP-0.62
TPSA47.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.54
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole
CID 99973090
5-chloro-2-trityl-2H-pyrrole
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6,7-dichloro-5,8-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-3,6,9,13-tetraene
CID 123395970
2-chloro-3-methyl-1,8a-dihydroquinoxaline
CID 163808025
1-[(3aR,7aS)-3-(4-chlorophenyl)-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97114326
5-cyclopenta-1,4-dien-1-yl-3-(5-nitrofuran-2-yl)-4,5-dihydro-1H-pyrazole
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6-[(4-chlorophenyl)methyl]-2,3-dihydro-1,2,4-triazine-3-thiol
CID 174830625
(3aS,7aR)-3-(3,5-dichlorophenyl)-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679161
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,6-dihydropyridazin-6-olate?
The IUPAC name of 3-chloro-1,6-dihydropyridazin-6-olate (CID 102355706) is 3-chloro-1,6-dihydropyridazin-6-olate.
What is the SMILES notation for 3-chloro-1,6-dihydropyridazin-6-olate?
The canonical SMILES for 3-chloro-1,6-dihydropyridazin-6-olate is [O-]C1C=CC(Cl)=NN1.
What is the InChIKey of 3-chloro-1,6-dihydropyridazin-6-olate?
The InChIKey is WQMYMKIFWGXVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN2O/c5-3-1-2-4(8)7-6-3/h1-2,4,7H/q-1.
What are the key properties of 3-chloro-1,6-dihydropyridazin-6-olate?
3-chloro-1,6-dihydropyridazin-6-olate has a molecular weight of 131.54 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,6-dihydropyridazin-6-olate is sourced from PubChem (CID 102355706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).