ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate

C10H11F2NO3 — CID 134682660

IUPACethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1OC
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(14)6-5-13-7(9(11)12)4-8(6)15-2/h4-5,9H,3H2,1-2H3
InChIKeySXKODACAKGRTCI-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.20
Rot. Bonds4

About ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate

ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate (PubChem CID 134682660) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
PubChem CID134682660
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1OC
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(14)6-5-13-7(9(11)12)4-8(6)15-2/h4-5,9H,3H2,1-2H3
InChIKeySXKODACAKGRTCI-UHFFFAOYSA-N
XLogP2.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 6-(1-chloroethyl)-4-methylpyridine-3-carboxylate
CID 175365234

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate (CID 134682660) is ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)cc1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate?
The InChIKey is SXKODACAKGRTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-3-16-10(14)6-5-13-7(9(11)12)4-8(6)15-2/h4-5,9H,3H2,1-2H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134682660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).