methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate

C10H11F2NO3 — CID 133099916

IUPACmethyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO3/c1-5-7(9(11)12)8(15-2)6(4-13-5)10(14)16-3/h4,9H,1-3H3
InChIKeyLSIBIWITSMZKFO-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.12
Rot. Bonds3

About methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate

methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate (PubChem CID 133099916) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
PubChem CID133099916
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namemethyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO3/c1-5-7(9(11)12)8(15-2)6(4-13-5)10(14)16-3/h4,9H,1-3H3
InChIKeyLSIBIWITSMZKFO-UHFFFAOYSA-N
XLogP2.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134675665
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
CID 130084011
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324
5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-sulfonamide
CID 133098987
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate (CID 133099916) is methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(C(F)F)c1OC.
What is the InChIKey of methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate?
The InChIKey is LSIBIWITSMZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-5-7(9(11)12)8(15-2)6(4-13-5)10(14)16-3/h4,9H,1-3H3.
What are the key properties of methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate?
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 133099916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).