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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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).