6-chloro-1,2-dihydroindazol-3-one

C7H5ClN2O — CID 15219883

IUPAC6-chloro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Cl)ccc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyHYUKOSIGBXAOSL-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.51
Rot. Bonds

About 6-chloro-1,2-dihydroindazol-3-one

6-chloro-1,2-dihydroindazol-3-one (PubChem CID 15219883) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 6-chloro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-chloro-1,2-dihydroindazol-3-one
PubChem CID15219883
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name6-chloro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Cl)ccc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKeyHYUKOSIGBXAOSL-UHFFFAOYSA-N
XLogP1.51
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indazolinone
CID 81829
Benzoic acid, 4-chloro-, 2-phenylhydrazide
CID 27023
6-fluoro-1H-indazol-3-ol
CID 24728218
7-Chloro-3,4-dihydro-1,2,3-benzotriazin-4-one
CID 135429805
2-Amino-4-chlorobenzamide
CID 12374837
5-chloro-1H-indazol-3-ol
CID 2141317
1H-Indazol-3-ol, 1-butyl-6-chloro-
CID 120522
1H-Indazol-3-ol, 1-(p-chlorobenzyl)-
CID 120951
4-chloro-2,3-dihydro-1H-indazol-3-one
CID 24729196
7-Chloro-1H-indazol-3-ol
CID 219248
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-chloro-1,2-dihydroindazol-3-one (CID 15219883) is 6-chloro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-chloro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-chloro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1,2-dihydroindazol-3-one?
The InChIKey is HYUKOSIGBXAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11).
What are the key properties of 6-chloro-1,2-dihydroindazol-3-one?
6-chloro-1,2-dihydroindazol-3-one has a molecular weight of 168.58 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 15219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).