5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid

C8H10N2O3 — CID 84718627

IUPAC5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
SMILESCc1cc(N)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,9H2,1-2H3,(H,12,13)
InChIKeyOXYDEKJBEZFGLQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.03
Rot. Bonds1

About 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid

5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84718627) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
PubChem CID84718627
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
SMILESCc1cc(N)c(=O)n(C)c1C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,9H2,1-2H3,(H,12,13)
InChIKeyOXYDEKJBEZFGLQ-UHFFFAOYSA-N
XLogP-0.03
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid (CID 84718627) is 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid is Cc1cc(N)c(=O)n(C)c1C(=O)O.
What is the InChIKey of 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is OXYDEKJBEZFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-3-5(9)7(11)10(2)6(4)8(12)13/h3H,9H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid?
5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84718627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).