ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate

C12H12F2N2O2 — CID 134684145

IUPACethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(C#N)c1C
InChIInChI=1S/C12H12F2N2O2/c1-3-18-11(17)5-8-4-9(12(13)14)16-10(6-15)7(8)2/h4,12H,3,5H2,1-2H3
InChIKeySYEGTZTZBBUDBM-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.30
Rot. Bonds4

About ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate

ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (PubChem CID 134684145) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
PubChem CID134684145
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(C#N)c1C
InChIInChI=1S/C12H12F2N2O2/c1-3-18-11(17)5-8-4-9(12(13)14)16-10(6-15)7(8)2/h4,12H,3,5H2,1-2H3
InChIKeySYEGTZTZBBUDBM-UHFFFAOYSA-N
XLogP2.30
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(bromomethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 133106708
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
ethyl 2-[2-cyano-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetate
CID 134674384
ethyl 2-[6-chloro-2-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685788
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 133085366
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (CID 134684145) is ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)nc(C#N)c1C.
What is the InChIKey of ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The InChIKey is SYEGTZTZBBUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-3-18-11(17)5-8-4-9(12(13)14)16-10(6-15)7(8)2/h4,12H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate has a molecular weight of 254.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 134684145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).