2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid

C16H15NO2 — CID 167976833

IUPAC2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cncc(-c2cccc3c2CCC3)c1
InChIInChI=1S/C16H15NO2/c18-16(19)8-11-7-13(10-17-9-11)15-6-2-4-12-3-1-5-14(12)15/h2,4,6-7,9-10H,1,3,5,8H2,(H,18,19)
InChIKeyZXWXKVJWSVFCHW-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.86
Rot. Bonds3

About 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid

2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid (PubChem CID 167976833) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid
PubChem CID167976833
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cncc(-c2cccc3c2CCC3)c1
InChIInChI=1S/C16H15NO2/c18-16(19)8-11-7-13(10-17-9-11)15-6-2-4-12-3-1-5-14(12)15/h2,4,6-7,9-10H,1,3,5,8H2,(H,18,19)
InChIKeyZXWXKVJWSVFCHW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid (CID 167976833) is 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid is O=C(O)Cc1cncc(-c2cccc3c2CCC3)c1.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid?
The InChIKey is ZXWXKVJWSVFCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)8-11-7-13(10-17-9-11)15-6-2-4-12-3-1-5-14(12)15/h2,4,6-7,9-10H,1,3,5,8H2,(H,18,19).
What are the key properties of 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid?
2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-inden-4-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 167976833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).