2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid

C16H15NO2 — CID 116824679

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCC2)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-16(19)15(14-6-1-2-9-17-14)13-8-7-11-4-3-5-12(11)10-13/h1-2,6-10,15H,3-5H2,(H,18,19)
InChIKeyAVSGPTXTWWRXIZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.79
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid

2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid (PubChem CID 116824679) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
PubChem CID116824679
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCC2)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-16(19)15(14-6-1-2-9-17-14)13-8-7-11-4-3-5-12(11)10-13/h1-2,6-10,15H,3-5H2,(H,18,19)
InChIKeyAVSGPTXTWWRXIZ-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 116824978
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51152064
2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
CID 116824710
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801242
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid (CID 116824679) is 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid is O=C(O)C(c1ccc2c(c1)CCC2)c1ccccn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid?
The InChIKey is AVSGPTXTWWRXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)15(14-6-1-2-9-17-14)13-8-7-11-4-3-5-12(11)10-13/h1-2,6-10,15H,3-5H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid?
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 116824679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).