ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate

C11H13F2NO3 — CID 133100499

IUPACethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-8(10(12)13)14-5-6(2)9(7)16-3/h5,10H,4H2,1-3H3
InChIKeyPZJHXUPDGZPVCT-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.51
Rot. Bonds4

About ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate

ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate (PubChem CID 133100499) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
PubChem CID133100499
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-8(10(12)13)14-5-6(2)9(7)16-3/h5,10H,4H2,1-3H3
InChIKeyPZJHXUPDGZPVCT-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

ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate (CID 133100499) is ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(C)c1OC.
What is the InChIKey of ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The InChIKey is PZJHXUPDGZPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-4-17-11(15)7-8(10(12)13)14-5-6(2)9(7)16-3/h5,10H,4H2,1-3H3.
What are the key properties of ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-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 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 133100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).