6-phenyl-1H-indazole-3-carboxylic acid

C14H10N2O2 — CID 74892779

IUPAC6-phenyl-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C14H10N2O2/c17-14(18)13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKeyRYKOGXPRTYUXBE-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 6-phenyl-1H-indazole-3-carboxylic acid

6-phenyl-1H-indazole-3-carboxylic acid (PubChem CID 74892779) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-phenyl-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-1H-indazole-3-carboxylic acid
PubChem CID74892779
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name6-phenyl-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C14H10N2O2/c17-14(18)13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKeyRYKOGXPRTYUXBE-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
CID 70882113
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
CID 91125991
6-[3-[(5-bromothiophene-2-carbonyl)amino]phenyl]-1H-indazole-3-carboxylic acid
CID 68622241
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123390295
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123277563
6-methylsulfonyl-1H-indazole-3-carboxylic acid
CID 170653132
formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid
CID 161260519
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
CID 46235778
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-phenyl-1H-indazole-3-carboxylic acid (CID 74892779) is 6-phenyl-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-phenyl-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-phenyl-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 6-phenyl-1H-indazole-3-carboxylic acid?
The InChIKey is RYKOGXPRTYUXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 6-phenyl-1H-indazole-3-carboxylic acid?
6-phenyl-1H-indazole-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 74892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).