4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid

C21H16N2O2 — CID 67512149

IUPAC4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc3c2ccn3-c2ccccc2)nc1
InChIInChI=1S/C21H16N2O2/c1-14-7-8-19(22-13-14)18-11-15(21(24)25)12-20-17(18)9-10-23(20)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,25)
InChIKeyPYDFDKUJFYNBAP-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.70
Rot. Bonds3

About 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid

4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid (PubChem CID 67512149) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid
PubChem CID67512149
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cc3c2ccn3-c2ccccc2)nc1
InChIInChI=1S/C21H16N2O2/c1-14-7-8-19(22-13-14)18-11-15(21(24)25)12-20-17(18)9-10-23(20)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,25)
InChIKeyPYDFDKUJFYNBAP-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid (CID 67512149) is 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)cc3c2ccn3-c2ccccc2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid?
The InChIKey is PYDFDKUJFYNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-7-8-19(22-13-14)18-11-15(21(24)25)12-20-17(18)9-10-23(20)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,25).
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid?
4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid is sourced from PubChem (CID 67512149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).