6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid

C21H14FN3O2 — CID 20789085

IUPAC6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)nc1
InChIInChI=1S/C21H14FN3O2/c22-16-6-3-14(4-7-16)20-18-11-13(2-10-19(18)24-25-20)1-8-17-9-5-15(12-23-17)21(26)27/h1-12H,(H,24,25)(H,26,27)/b8-1+
InChIKeyMYMPMZBTTVYTRR-UNXLUWIOSA-N
MW359.36 g/mol
LogP4.63
Rot. Bonds4

About 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid

6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid (PubChem CID 20789085) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid
PubChem CID20789085
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)nc1
InChIInChI=1S/C21H14FN3O2/c22-16-6-3-14(4-7-16)20-18-11-13(2-10-19(18)24-25-20)1-8-17-9-5-15(12-23-17)21(26)27/h1-12H,(H,24,25)(H,26,27)/b8-1+
InChIKeyMYMPMZBTTVYTRR-UNXLUWIOSA-N
XLogP4.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid (CID 20789085) is 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)nc1.
What is the InChIKey of 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid?
The InChIKey is MYMPMZBTTVYTRR-UNXLUWIOSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-16-6-3-14(4-7-16)20-18-11-13(2-10-19(18)24-25-20)1-8-17-9-5-15(12-23-17)21(26)27/h1-12H,(H,24,25)(H,26,27)/b8-1+.
What are the key properties of 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid?
6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 20789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).