5-chloroindazol-3-one

C7H3ClN2O — CID 23063946

IUPAC5-chloroindazol-3-one
SMILESO=C1N=Nc2ccc(Cl)cc21
InChIInChI=1S/C7H3ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H
InChIKeyFKCOGUDKADCPIB-UHFFFAOYSA-N
MW166.57 g/mol
LogP2.58
Rot. Bonds

About 5-chloroindazol-3-one

5-chloroindazol-3-one (PubChem CID 23063946) has the molecular formula C7H3ClN2O and a molecular weight of 166.57 g/mol. Its IUPAC name is 5-chloroindazol-3-one.

Molecular Properties

Compound Name5-chloroindazol-3-one
PubChem CID23063946
Molecular FormulaC7H3ClN2O
Molecular Weight166.57 g/mol
Exact Mass165.99
IUPAC Name5-chloroindazol-3-one
SMILESO=C1N=Nc2ccc(Cl)cc21
InChIInChI=1S/C7H3ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H
InChIKeyFKCOGUDKADCPIB-UHFFFAOYSA-N
XLogP2.58
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.57
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloroindazol-3-one?
The IUPAC name of 5-chloroindazol-3-one (CID 23063946) is 5-chloroindazol-3-one.
What is the SMILES notation for 5-chloroindazol-3-one?
The canonical SMILES for 5-chloroindazol-3-one is O=C1N=Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloroindazol-3-one?
The InChIKey is FKCOGUDKADCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H.
What are the key properties of 5-chloroindazol-3-one?
5-chloroindazol-3-one has a molecular weight of 166.57 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroindazol-3-one is sourced from PubChem (CID 23063946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).