3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid

C17H16N2O2 — CID 142738546

IUPAC3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid
SMILESCc1ncccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-11-14(3-2-8-18-11)16-10-13-9-12(5-7-17(20)21)4-6-15(13)19-16/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21)
InChIKeyIHKPYHLINVJCBZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid

3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid (PubChem CID 142738546) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid
PubChem CID142738546
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid
SMILESCc1ncccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-11-14(3-2-8-18-11)16-10-13-9-12(5-7-17(20)21)4-6-15(13)19-16/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21)
InChIKeyIHKPYHLINVJCBZ-UHFFFAOYSA-N
XLogP3.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid (CID 142738546) is 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid is Cc1ncccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1.
What is the InChIKey of 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid?
The InChIKey is IHKPYHLINVJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-14(3-2-8-18-11)16-10-13-9-12(5-7-17(20)21)4-6-15(13)19-16/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21).
What are the key properties of 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid?
3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-3-pyridinyl)-1H-indol-5-yl]propanoic acid is sourced from PubChem (CID 142738546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).