ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate

C11H13F2NO3 — CID 133100416

IUPACethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(C(F)F)c(OC)n1
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-6(2)8(9(12)13)10(14-7)16-3/h5,9H,4H2,1-3H3
InChIKeyJANMTYDHVGAGEQ-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.51
Rot. Bonds4

About ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate

ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate (PubChem CID 133100416) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
PubChem CID133100416
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(C(F)F)c(OC)n1
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-6(2)8(9(12)13)10(14-7)16-3/h5,9H,4H2,1-3H3
InChIKeyJANMTYDHVGAGEQ-UHFFFAOYSA-N
XLogP2.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
CID 133099289
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate (CID 133100416) is ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate is CCOC(=O)c1cc(C)c(C(F)F)c(OC)n1.
What is the InChIKey of ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate?
The InChIKey is JANMTYDHVGAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-6(2)8(9(12)13)10(14-7)16-3/h5,9H,4H2,1-3H3.
What are the key properties of ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate?
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 133100416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).