3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid

C14H9FN2O2 — CID 39218370

IUPAC3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1
InChIInChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-11-6-3-9(14(18)19)7-12(11)16-17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyLPPCJZPDQQQCEC-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.07
Rot. Bonds2

About 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid

3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid (PubChem CID 39218370) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
PubChem CID39218370
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1
InChIInChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-11-6-3-9(14(18)19)7-12(11)16-17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyLPPCJZPDQQQCEC-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid (CID 39218370) is 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The InChIKey is LPPCJZPDQQQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-11-6-3-9(14(18)19)7-12(11)16-17-13/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid?
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39218370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).