5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C13H12FN3O2 — CID 12003791

IUPAC5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1cccnc1F)CC2
InChIInChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyJQOSYJBFVAFNNY-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.91
Rot. Bonds2

About 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 12003791) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID12003791
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1cccnc1F)CC2
InChIInChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyJQOSYJBFVAFNNY-UHFFFAOYSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 12003791) is 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(c1cccnc1F)CC2.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is JQOSYJBFVAFNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 12003791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).