5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid

C9H10N2O3 — CID 19858327

IUPAC5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(C2CC2)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c10-6-3-5(9(13)14)7(4-1-2-4)11-8(6)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)
InChIKeySZBIXLOXPZQUKZ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.53
Rot. Bonds2

About 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid

5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 19858327) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID19858327
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)c(C2CC2)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c10-6-3-5(9(13)14)7(4-1-2-4)11-8(6)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)
InChIKeySZBIXLOXPZQUKZ-UHFFFAOYSA-N
XLogP0.53
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 19858327) is 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid is Nc1cc(C(=O)O)c(C2CC2)[nH]c1=O.
What is the InChIKey of 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SZBIXLOXPZQUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-6-3-5(9(13)14)7(4-1-2-4)11-8(6)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid?
5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 19858327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).