8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

C12H9FN2O2 — CID 82082334

IUPAC8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1CCc1ccc(F)cc1-2
InChIInChI=1S/C12H9FN2O2/c13-7-3-1-6-2-4-8-10(9(6)5-7)14-15-11(8)12(16)17/h1,3,5H,2,4H2,(H,14,15)(H,16,17)
InChIKeyJVDYJCXTQLJUIT-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.01
Rot. Bonds1

About 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid

8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid (PubChem CID 82082334) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
PubChem CID82082334
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1CCc1ccc(F)cc1-2
InChIInChI=1S/C12H9FN2O2/c13-7-3-1-6-2-4-8-10(9(6)5-7)14-15-11(8)12(16)17/h1,3,5H,2,4H2,(H,14,15)(H,16,17)
InChIKeyJVDYJCXTQLJUIT-UHFFFAOYSA-N
XLogP2.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 170733168
8-fluoro-1-methyl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 139896956
N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 696865
[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 20954094
4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 13303408
3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
CID 10847727
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
ethyl 8-(4-bromo-3,5-dichlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxylate
CID 174207631
8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 67305081
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 761334
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
CID 91002780

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The IUPAC name of 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid (CID 82082334) is 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid is O=C(O)c1[nH]nc2c1CCc1ccc(F)cc1-2.
What is the InChIKey of 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
The InChIKey is JVDYJCXTQLJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-7-3-1-6-2-4-8-10(9(6)5-7)14-15-11(8)12(16)17/h1,3,5H,2,4H2,(H,14,15)(H,16,17).
What are the key properties of 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid?
8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid is sourced from PubChem (CID 82082334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).