5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

C17H16N2O2 — CID 175952664

IUPAC5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-15-13(8-11)9-16(17(20)21)19(15)10-14-5-3-4-12(2)18-14/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyRYKUKPBKBXYDIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.40
Rot. Bonds3

About 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid

5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (PubChem CID 175952664) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
PubChem CID175952664
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
SMILESCc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-15-13(8-11)9-16(17(20)21)19(15)10-14-5-3-4-12(2)18-14/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyRYKUKPBKBXYDIT-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid (CID 175952664) is 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1.
What is the InChIKey of 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
The InChIKey is RYKUKPBKBXYDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-7-15-13(8-11)9-16(17(20)21)19(15)10-14-5-3-4-12(2)18-14/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid?
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 175952664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).