3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid

C8H10N2O3 — CID 68977215

IUPAC3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid
SMILESCOc1cc(C)c(N)c(C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-4-3-5(13-2)10-7(6(4)9)8(11)12/h3H,9H2,1-2H3,(H,11,12)
InChIKeyAWJPKRRGCSBPGY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.68
Rot. Bonds2

About 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid

3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid (PubChem CID 68977215) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid
PubChem CID68977215
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid
SMILESCOc1cc(C)c(N)c(C(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-4-3-5(13-2)10-7(6(4)9)8(11)12/h3H,9H2,1-2H3,(H,11,12)
InChIKeyAWJPKRRGCSBPGY-UHFFFAOYSA-N
XLogP0.68
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid (CID 68977215) is 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid is COc1cc(C)c(N)c(C(=O)O)n1.
What is the InChIKey of 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid?
The InChIKey is AWJPKRRGCSBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-3-5(13-2)10-7(6(4)9)8(11)12/h3H,9H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid?
3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 68977215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).