1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid

C15H14N2O3 — CID 70969408

IUPAC1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN1c2c(cccc2Oc2ccncc2)CC1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyRYTSPOKCMRLGIS-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid

1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 70969408) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID70969408
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN1c2c(cccc2Oc2ccncc2)CC1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyRYTSPOKCMRLGIS-UHFFFAOYSA-N
XLogP2.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid (CID 70969408) is 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid is CN1c2c(cccc2Oc2ccncc2)CC1C(=O)O.
What is the InChIKey of 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is RYTSPOKCMRLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-12(15(18)19)9-10-3-2-4-13(14(10)17)20-11-5-7-16-8-6-11/h2-8,12H,9H2,1H3,(H,18,19).
What are the key properties of 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid?
1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-pyridin-4-yloxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 70969408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).