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

C7H5ClN2O — CID 2141317

IUPAC5-chloro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(Cl)cc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11)
InChIKeyQENJUGGVVMREAK-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.51
Rot. Bonds

About 5-chloro-1,2-dihydroindazol-3-one

5-chloro-1,2-dihydroindazol-3-one (PubChem CID 2141317) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 5-chloro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-chloro-1,2-dihydroindazol-3-one
PubChem CID2141317
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name5-chloro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(Cl)cc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11)
InChIKeyQENJUGGVVMREAK-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dihydroindazol-3-one?
The IUPAC name of 5-chloro-1,2-dihydroindazol-3-one (CID 2141317) is 5-chloro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-chloro-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-chloro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1,2-dihydroindazol-3-one?
The InChIKey is QENJUGGVVMREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11).
What are the key properties of 5-chloro-1,2-dihydroindazol-3-one?
5-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 5-chloro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 2141317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).