3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid

C15H14N2O2 — CID 107854716

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC1Cc2ccccc2C1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-13(6-3-7-16-14)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9H2,(H,18,19)
InChIKeyAJQQCAADIOPZCP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.36
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid

3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 107854716) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
PubChem CID107854716
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC1Cc2ccccc2C1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-13(6-3-7-16-14)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9H2,(H,18,19)
InChIKeyAJQQCAADIOPZCP-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid (CID 107854716) is 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid is O=C(O)c1ncccc1NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is AJQQCAADIOPZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)14-13(6-3-7-16-14)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9H2,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid?
3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107854716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).