6-chloro-1-phenyl-2H-indazol-3-one

C13H9ClN2O — CID 16638458

IUPAC6-chloro-1-phenyl-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2O/c14-9-6-7-11-12(8-9)16(15-13(11)17)10-4-2-1-3-5-10/h1-8H,(H,15,17)
InChIKeyMLYFRKVZOLSJIK-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.97
Rot. Bonds1

About 6-chloro-1-phenyl-2H-indazol-3-one

6-chloro-1-phenyl-2H-indazol-3-one (PubChem CID 16638458) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-chloro-1-phenyl-2H-indazol-3-one.

Molecular Properties

Compound Name6-chloro-1-phenyl-2H-indazol-3-one
PubChem CID16638458
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name6-chloro-1-phenyl-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2O/c14-9-6-7-11-12(8-9)16(15-13(11)17)10-4-2-1-3-5-10/h1-8H,(H,15,17)
InChIKeyMLYFRKVZOLSJIK-UHFFFAOYSA-N
XLogP2.97
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-2H-indazol-3-one?
The IUPAC name of 6-chloro-1-phenyl-2H-indazol-3-one (CID 16638458) is 6-chloro-1-phenyl-2H-indazol-3-one.
What is the SMILES notation for 6-chloro-1-phenyl-2H-indazol-3-one?
The canonical SMILES for 6-chloro-1-phenyl-2H-indazol-3-one is O=c1[nH]n(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-phenyl-2H-indazol-3-one?
The InChIKey is MLYFRKVZOLSJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-9-6-7-11-12(8-9)16(15-13(11)17)10-4-2-1-3-5-10/h1-8H,(H,15,17).
What are the key properties of 6-chloro-1-phenyl-2H-indazol-3-one?
6-chloro-1-phenyl-2H-indazol-3-one has a molecular weight of 244.68 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenyl-2H-indazol-3-one is sourced from PubChem (CID 16638458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).