6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid

C23H20N2O2 — CID 69096857

IUPAC6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H20N2O2/c1-15-11-12-18-19(14-17-9-6-10-20(24-17)23(26)27)22(25(2)21(18)13-15)16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyDOISWYXGHCJTGK-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.84
Rot. Bonds4

About 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69096857) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69096857
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H20N2O2/c1-15-11-12-18-19(14-17-9-6-10-20(24-17)23(26)27)22(25(2)21(18)13-15)16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyDOISWYXGHCJTGK-UHFFFAOYSA-N
XLogP4.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69096857) is 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid is Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)n(C)c2c1.
What is the InChIKey of 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is DOISWYXGHCJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-11-12-18-19(14-17-9-6-10-20(24-17)23(26)27)22(25(2)21(18)13-15)16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69096857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).