ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate

C11H10F2N2O3 — CID 134685125

IUPACethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)c(C#N)c1C(F)F
InChIInChI=1S/C11H10F2N2O3/c1-3-18-11(16)9-8(10(12)13)6(4-14)7(17-2)5-15-9/h5,10H,3H2,1-2H3
InChIKeyQQUXCAHGCIWSJH-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.08
Rot. Bonds4

About ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate

ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate (PubChem CID 134685125) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
PubChem CID134685125
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)c(C#N)c1C(F)F
InChIInChI=1S/C11H10F2N2O3/c1-3-18-11(16)9-8(10(12)13)6(4-14)7(17-2)5-15-9/h5,10H,3H2,1-2H3
InChIKeyQQUXCAHGCIWSJH-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 5-(chloromethyl)-4-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107206
ethyl 4-cyano-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106098
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
ethyl 2-[3-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134685984
ethyl 4-(bromomethyl)-3-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107850
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
ethyl 3-bromo-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134668069
ethyl 2-[3-cyano-2-(difluoromethyl)-4-methoxyphenyl]acetate
CID 134654817
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
ethyl 2-[3-cyano-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetate
CID 134686324
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103884

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate (CID 134685125) is ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate is CCOC(=O)c1ncc(OC)c(C#N)c1C(F)F.
What is the InChIKey of ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is QQUXCAHGCIWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-3-18-11(16)9-8(10(12)13)6(4-14)7(17-2)5-15-9/h5,10H,3H2,1-2H3.
What are the key properties of ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
ethyl 4-cyano-3-(difluoromethyl)-5-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 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134685125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).