methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate

C9H9F2NO4 — CID 133103370

IUPACmethyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)cnc(OC)c1O
InChIInChI=1S/C9H9F2NO4/c1-15-8-6(13)5(9(14)16-2)4(3-12-8)7(10)11/h3,7,13H,1-2H3
InChIKeyYTLZZPAFKMKDQP-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.52
Rot. Bonds3

About methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate

methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate (PubChem CID 133103370) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
PubChem CID133103370
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Namemethyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)cnc(OC)c1O
InChIInChI=1S/C9H9F2NO4/c1-15-8-6(13)5(9(14)16-2)4(3-12-8)7(10)11/h3,7,13H,1-2H3
InChIKeyYTLZZPAFKMKDQP-UHFFFAOYSA-N
XLogP1.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
CID 130083999
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
5-(difluoromethyl)-6-methoxypyridin-3-ol
CID 130096969
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate (CID 133103370) is methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate is COC(=O)c1c(C(F)F)cnc(OC)c1O.
What is the InChIKey of methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate?
The InChIKey is YTLZZPAFKMKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-8-6(13)5(9(14)16-2)4(3-12-8)7(10)11/h3,7,13H,1-2H3.
What are the key properties of methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate?
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate has a molecular weight of 233.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).