ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate

C11H10F2N2O3 — CID 134685121

IUPACethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(C#N)c(OC)n1
InChIInChI=1S/C11H10F2N2O3/c1-3-18-11(16)8-4-6(9(12)13)7(5-14)10(15-8)17-2/h4,9H,3H2,1-2H3
InChIKeyDXACXJFFLBGACM-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.08
Rot. Bonds4

About ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate

ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate (PubChem CID 134685121) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
PubChem CID134685121
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(C#N)c(OC)n1
InChIInChI=1S/C11H10F2N2O3/c1-3-18-11(16)8-4-6(9(12)13)7(5-14)10(15-8)17-2/h4,9H,3H2,1-2H3
InChIKeyDXACXJFFLBGACM-UHFFFAOYSA-N
XLogP2.08
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
ethyl 5-cyano-4-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134684272
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 5-cyano-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106979
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
4-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078106
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133102463
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate (CID 134685121) is ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)c(C#N)c(OC)n1.
What is the InChIKey of ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
The InChIKey is DXACXJFFLBGACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-3-18-11(16)8-4-6(9(12)13)7(5-14)10(15-8)17-2/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate?
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate has a molecular weight of 256.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134685121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).