7-bromo-4,5-dihydro-1H-benzo[g]indazole

C11H9BrN2 — CID 91620026

IUPAC7-bromo-4,5-dihydro-1H-benzo[g]indazole
SMILESBrc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H9BrN2/c12-9-3-4-10-7(5-9)1-2-8-6-13-14-11(8)10/h3-6H,1-2H2,(H,13,14)
InChIKeyLQBPZBLMGSQNOL-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.94
Rot. Bonds

About 7-bromo-4,5-dihydro-1H-benzo[g]indazole

7-bromo-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 91620026) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 7-bromo-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name7-bromo-4,5-dihydro-1H-benzo[g]indazole
PubChem CID91620026
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name7-bromo-4,5-dihydro-1H-benzo[g]indazole
SMILESBrc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H9BrN2/c12-9-3-4-10-7(5-9)1-2-8-6-13-14-11(8)10/h3-6H,1-2H2,(H,13,14)
InChIKeyLQBPZBLMGSQNOL-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
CID 139432787
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
CID 12686517
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
5-bromo-2,3-dihydroinden-1-one
CID 161015201
3,10-dibromo-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene;2,5-dimethyl-1,3,4-oxadiazole
CID 90840939
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole
CID 142940477
5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride
CID 11232184
N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 82973618
7-ethyl-4,5-dihydro-1H-thieno[2,3-g]indazole
CID 21196792
5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
4-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
CID 6539795

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 7-bromo-4,5-dihydro-1H-benzo[g]indazole (CID 91620026) is 7-bromo-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 7-bromo-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 7-bromo-4,5-dihydro-1H-benzo[g]indazole is Brc1ccc2c(c1)CCc1cn[nH]c1-2.
What is the InChIKey of 7-bromo-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is LQBPZBLMGSQNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-9-3-4-10-7(5-9)1-2-8-6-13-14-11(8)10/h3-6H,1-2H2,(H,13,14).
What are the key properties of 7-bromo-4,5-dihydro-1H-benzo[g]indazole?
7-bromo-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 249.11 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 91620026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).