2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid

C8H8F2N2O3 — CID 119005849

IUPAC2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-4-2-3(8(13)14)7(11)12-5(4)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyREPUDOFIHBHWHE-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid

2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid (PubChem CID 119005849) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
PubChem CID119005849
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-15-4-2-3(8(13)14)7(11)12-5(4)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyREPUDOFIHBHWHE-UHFFFAOYSA-N
XLogP1.31
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid (CID 119005849) is 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid is COc1cc(C(=O)O)c(N)nc1C(F)F.
What is the InChIKey of 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The InChIKey is REPUDOFIHBHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-4-2-3(8(13)14)7(11)12-5(4)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid has a molecular weight of 218.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 119005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).