3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid

C7H8N2O3 — CID 82413442

IUPAC3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-3-2-4(7(11)12)5(8)6(10)9-3/h2H,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyPXWUHYSMGBFQAR-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds1

About 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid

3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82413442) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82413442
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-3-2-4(7(11)12)5(8)6(10)9-3/h2H,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyPXWUHYSMGBFQAR-UHFFFAOYSA-N
XLogP-0.04
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid (CID 82413442) is 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c(N)c(=O)[nH]1.
What is the InChIKey of 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is PXWUHYSMGBFQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-2-4(7(11)12)5(8)6(10)9-3/h2H,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid?
3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82413442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).