2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid

C17H17NO2 — CID 79429073

IUPAC2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CCc2cccnc2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(8-7-13-4-3-9-18-12-13)10-14-5-1-2-6-15(14)11-17/h1-6,9,12H,7-8,10-11H2,(H,19,20)
InChIKeyYEWIGUONRVQJON-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid

2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 79429073) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID79429073
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CCc2cccnc2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(8-7-13-4-3-9-18-12-13)10-14-5-1-2-6-15(14)11-17/h1-6,9,12H,7-8,10-11H2,(H,19,20)
InChIKeyYEWIGUONRVQJON-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-pyridin-3-ylethyl)oxane-4-carboxylic acid
CID 79425505
2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
2-(2-pyridin-3-ylethyl)thiolane-2-carboxylic acid
CID 83174393
2-oxo-1-(2-pyridin-3-ylethyl)cyclohexane-1-carboxylic acid
CID 103575024
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
2-methyl-3-(2-pyridin-3-ylethyl)oxolane-3-carboxylic acid
CID 114533869
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
2-(2-pyridin-3-ylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79426066
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid (CID 79429073) is 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(CCc2cccnc2)Cc2ccccc2C1.
What is the InChIKey of 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YEWIGUONRVQJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)17(8-7-13-4-3-9-18-12-13)10-14-5-1-2-6-15(14)11-17/h1-6,9,12H,7-8,10-11H2,(H,19,20).
What are the key properties of 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 79429073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).