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

C17H17NO2 — CID 79428498

IUPAC2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CCc2ccccn2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(9-8-15-7-3-4-10-18-15)11-13-5-1-2-6-14(13)12-17/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyVAYKJTLBXIEQPA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds4

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

2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 79428498) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID79428498
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(CCc2ccccn2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(9-8-15-7-3-4-10-18-15)11-13-5-1-2-6-14(13)12-17/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyVAYKJTLBXIEQPA-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

1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429073
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
2-[2-(trifluoromethoxy)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 79428684
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
CID 65409494

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid (CID 79428498) is 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(CCc2ccccn2)Cc2ccccc2C1.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is VAYKJTLBXIEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)17(9-8-15-7-3-4-10-18-15)11-13-5-1-2-6-14(13)12-17/h1-7,10H,8-9,11-12H2,(H,19,20).
What are the key properties of 2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid?
2-(2-pyridin-2-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-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 79428498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).