6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C21H15FN2O2 — CID 69096899

IUPAC6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C21H15FN2O2/c22-14-9-10-16-17(12-15-7-4-8-18(23-15)21(25)26)20(24-19(16)11-14)13-5-2-1-3-6-13/h1-11,24H,12H2,(H,25,26)
InChIKeyQBKRJTLPCCEBFR-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.66
Rot. Bonds4

About 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69096899) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69096899
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C21H15FN2O2/c22-14-9-10-16-17(12-15-7-4-8-18(23-15)21(25)26)20(24-19(16)11-14)13-5-2-1-3-6-13/h1-11,24H,12H2,(H,25,26)
InChIKeyQBKRJTLPCCEBFR-UHFFFAOYSA-N
XLogP4.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69096899) is 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(F)ccc23)n1.
What is the InChIKey of 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is QBKRJTLPCCEBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-14-9-10-16-17(12-15-7-4-8-18(23-15)21(25)26)20(24-19(16)11-14)13-5-2-1-3-6-13/h1-11,24H,12H2,(H,25,26).
What are the key properties of 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).