methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate

C9H8F3NO3 — CID 133105531

IUPACmethyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)nc(OC)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-8-6(7(11)12)4(9(14)16-2)3-5(10)13-8/h3,7H,1-2H3
InChIKeyABGPGLLCRSGCJG-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

About methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate

methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate (PubChem CID 133105531) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
PubChem CID133105531
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)nc(OC)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-8-6(7(11)12)4(9(14)16-2)3-5(10)13-8/h3,7H,1-2H3
InChIKeyABGPGLLCRSGCJG-UHFFFAOYSA-N
XLogP1.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134679196
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
CID 130080748
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 3-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-4-carboxylate
CID 130082005
methyl 6-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 130082353
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate (CID 133105531) is methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate is COC(=O)c1cc(F)nc(OC)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate?
The InChIKey is ABGPGLLCRSGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-8-6(7(11)12)4(9(14)16-2)3-5(10)13-8/h3,7H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate?
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133105531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).