5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid

C6H8N2O2 — CID 121434449

IUPAC5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILES[H]/N=C1\C=NC(C(=O)O)CC1
InChIInChI=1S/C6H8N2O2/c7-4-1-2-5(6(9)10)8-3-4/h3,5,7H,1-2H2,(H,9,10)/b7-4-
InChIKeyGGGZOULAEIUBJN-DAXSKMNVSA-N
MW140.14 g/mol
LogP0.32
Rot. Bonds1

About 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid

5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 121434449) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID121434449
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILES[H]/N=C1\C=NC(C(=O)O)CC1
InChIInChI=1S/C6H8N2O2/c7-4-1-2-5(6(9)10)8-3-4/h3,5,7H,1-2H2,(H,9,10)/b7-4-
InChIKeyGGGZOULAEIUBJN-DAXSKMNVSA-N
XLogP0.32
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid (CID 121434449) is 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid is [H]/N=C1\C=NC(C(=O)O)CC1.
What is the InChIKey of 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is GGGZOULAEIUBJN-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-4-1-2-5(6(9)10)8-3-4/h3,5,7H,1-2H2,(H,9,10)/b7-4-.
What are the key properties of 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid?
5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3,4-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 121434449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).