8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

C19H14BrClN2O3 — CID 58124976

IUPAC8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
SMILESCOc1cc2c(cc1Br)-c1c(c(C(=O)O)nn1-c1ccccc1Cl)CC2
InChIInChI=1S/C19H14BrClN2O3/c1-26-16-8-10-6-7-11-17(19(24)25)22-23(15-5-3-2-4-14(15)21)18(11)12(10)9-13(16)20/h2-5,8-9H,6-7H2,1H3,(H,24,25)
InChIKeyBPHFJAYSVJWFBW-UHFFFAOYSA-N
MW433.69 g/mol
LogP4.76
Rot. Bonds3

About 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid (PubChem CID 58124976) has the molecular formula C19H14BrClN2O3 and a molecular weight of 433.69 g/mol. Its IUPAC name is 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
PubChem CID58124976
Molecular FormulaC19H14BrClN2O3
Molecular Weight433.69 g/mol
Exact Mass431.99
IUPAC Name8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
SMILESCOc1cc2c(cc1Br)-c1c(c(C(=O)O)nn1-c1ccccc1Cl)CC2
InChIInChI=1S/C19H14BrClN2O3/c1-26-16-8-10-6-7-11-17(19(24)25)22-23(15-5-3-2-4-14(15)21)18(11)12(10)9-13(16)20/h2-5,8-9H,6-7H2,1H3,(H,24,25)
InChIKeyBPHFJAYSVJWFBW-UHFFFAOYSA-N
XLogP4.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-7-methoxy-1-pyridazin-3-yl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 170971837
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
N-tert-butyl-1-(2-chlorophenyl)-7-methoxy-N-methyl-8-pyridin-4-yl-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 50903227
7-bromo-6-methoxy-1-thiophen-3-yl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 170971934
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
ethyl 8-bromo-7-methoxy-1-pyridazin-3-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 170971970
8-bromo-N-(1-cyclopropylethyl)-1-(3,5-dichlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 170972133
(8-bromo-7-methoxy-1-pyridin-2-yl-4,5-dihydrobenzo[g]indazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 170972035
3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
CID 11567228
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 68567859

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid?
The IUPAC name of 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid (CID 58124976) is 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid.
What is the SMILES notation for 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid?
The canonical SMILES for 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid is COc1cc2c(cc1Br)-c1c(c(C(=O)O)nn1-c1ccccc1Cl)CC2.
What is the InChIKey of 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid?
The InChIKey is BPHFJAYSVJWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O3/c1-26-16-8-10-6-7-11-17(19(24)25)22-23(15-5-3-2-4-14(15)21)18(11)12(10)9-13(16)20/h2-5,8-9H,6-7H2,1H3,(H,24,25).
What are the key properties of 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid?
8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid has a molecular weight of 433.69 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid is sourced from PubChem (CID 58124976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).