5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one

C13H8BrClN2O — CID 45480045

IUPAC5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c2ccc(Br)cc12
InChIInChI=1S/C13H8BrClN2O/c14-8-1-6-12-11(7-8)13(18)16-17(12)10-4-2-9(15)3-5-10/h1-7H,(H,16,18)
InChIKeyYNILAROCJWCJQH-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one

5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one (PubChem CID 45480045) has the molecular formula C13H8BrClN2O and a molecular weight of 323.58 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one
PubChem CID45480045
Molecular FormulaC13H8BrClN2O
Molecular Weight323.58 g/mol
Exact Mass321.95
IUPAC Name5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c2ccc(Br)cc12
InChIInChI=1S/C13H8BrClN2O/c14-8-1-6-12-11(7-8)13(18)16-17(12)10-4-2-9(15)3-5-10/h1-7H,(H,16,18)
InChIKeyYNILAROCJWCJQH-UHFFFAOYSA-N
XLogP3.73
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-phenyl-2H-indazol-3-one
CID 16638458
5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
CID 102364490
5-chloro-1-ethyl-2H-indazol-3-one
CID 23063926
4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one
CID 155514329
6-bromo-2-[2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 136822820
1-[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]pentan-1-one
CID 11047765
6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17197912
3,5-dibromo-1-(4-chlorophenyl)pyridin-2-one
CID 132581863
1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
CID 105498313
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
6-bromo-3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
CID 66502730
(5Z)-5-[[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 44714041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one (CID 45480045) is 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one is O=c1[nH]n(-c2ccc(Cl)cc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one?
The InChIKey is YNILAROCJWCJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O/c14-8-1-6-12-11(7-8)13(18)16-17(12)10-4-2-9(15)3-5-10/h1-7H,(H,16,18).
What are the key properties of 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one?
5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one has a molecular weight of 323.58 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one is sourced from PubChem (CID 45480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).