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

C9H9F2NO4 — CID 133103469

IUPACmethyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(C(F)F)c1O
InChIInChI=1S/C9H9F2NO4/c1-15-4-3-12-6(9(14)16-2)7(13)5(4)8(10)11/h3,8,13H,1-2H3
InChIKeyFSKAMAVBRLLMNL-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.52
Rot. Bonds3

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

methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate (PubChem CID 133103469) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
PubChem CID133103469
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Namemethyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(C(F)F)c1O
InChIInChI=1S/C9H9F2NO4/c1-15-4-3-12-6(9(14)16-2)7(13)5(4)8(10)11/h3,8,13H,1-2H3
InChIKeyFSKAMAVBRLLMNL-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

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Related Compounds

4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
4-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carboxamide
CID 118852090
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate (CID 133103469) is methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate is COC(=O)c1ncc(OC)c(C(F)F)c1O.
What is the InChIKey of methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate?
The InChIKey is FSKAMAVBRLLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-4-3-12-6(9(14)16-2)7(13)5(4)8(10)11/h3,8,13H,1-2H3.
What are the key properties of methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate?
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-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 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133103469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).