7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid

C15H10FN3O2 — CID 59797091

IUPAC7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C15H10FN3O2/c16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-8H,(H,18,19)(H,20,21)/b4-3+
InChIKeyITWMKQAXKREXIX-ONEGZZNKSA-N
MW283.26 g/mol
LogP2.97
Rot. Bonds3

About 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid

7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 59797091) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
PubChem CID59797091
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C15H10FN3O2/c16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-8H,(H,18,19)(H,20,21)/b4-3+
InChIKeyITWMKQAXKREXIX-ONEGZZNKSA-N
XLogP2.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid (CID 59797091) is 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid is O=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.
What is the InChIKey of 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is ITWMKQAXKREXIX-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-8H,(H,18,19)(H,20,21)/b4-3+.
What are the key properties of 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 59797091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).