1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid

C16H14N2O3 — CID 82899150

IUPAC1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCn3ccccc3=O)c2c1
InChIInChI=1S/C16H14N2O3/c19-15-3-1-2-7-18(15)10-9-17-8-6-12-4-5-13(16(20)21)11-14(12)17/h1-8,11H,9-10H2,(H,20,21)
InChIKeyIJVDVBQCORIMHP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid

1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid (PubChem CID 82899150) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
PubChem CID82899150
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(CCn3ccccc3=O)c2c1
InChIInChI=1S/C16H14N2O3/c19-15-3-1-2-7-18(15)10-9-17-8-6-12-4-5-13(16(20)21)11-14(12)17/h1-8,11H,9-10H2,(H,20,21)
InChIKeyIJVDVBQCORIMHP-UHFFFAOYSA-N
XLogP2.20
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-but-3-ynylindole-6-carboxylic acid
CID 63750392
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665
1-pent-3-ynylindole-6-carboxylic acid
CID 104808364
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
1-[2-(3-methylbutoxy)ethyl]indole-6-carboxylic acid
CID 63748611
1-(2-propan-2-ylsulfonylethyl)indole-6-carboxylic acid
CID 106716870
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid (CID 82899150) is 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid is O=C(O)c1ccc2ccn(CCn3ccccc3=O)c2c1.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid?
The InChIKey is IJVDVBQCORIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-3-1-2-7-18(15)10-9-17-8-6-12-4-5-13(16(20)21)11-14(12)17/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid?
1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)ethyl]indole-6-carboxylic acid is sourced from PubChem (CID 82899150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).