5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid

C20H14FN3O2 — CID 86715495

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C20H14FN3O2/c1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyYKAUDNIMPPTUIP-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.44
Rot. Bonds3

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid (PubChem CID 86715495) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid
PubChem CID86715495
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid
SMILESCc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F
InChIInChI=1S/C20H14FN3O2/c1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyYKAUDNIMPPTUIP-UHFFFAOYSA-N
XLogP4.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid (CID 86715495) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid is Cc1cc(-c2ncccc2-c2cc(C(=O)O)c3[nH]ncc3c2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid?
The InChIKey is YKAUDNIMPPTUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-11-7-12(4-5-17(11)21)18-15(3-2-6-22-18)13-8-14-10-23-24-19(14)16(9-13)20(25)26/h2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 86715495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).