ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

C11H10F2N2O3 — CID 134686451

IUPACethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C#N)c(O)c1C(F)F
InChIInChI=1S/C11H10F2N2O3/c1-2-18-8(16)3-6-5-15-7(4-14)10(17)9(6)11(12)13/h5,11,17H,2-3H2,1H3
InChIKeyQXCWKSHOJIKOGQ-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (PubChem CID 134686451) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
PubChem CID134686451
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C#N)c(O)c1C(F)F
InChIInChI=1S/C11H10F2N2O3/c1-2-18-8(16)3-6-5-15-7(4-14)10(17)9(6)11(12)13/h5,11,17H,2-3H2,1H3
InChIKeyQXCWKSHOJIKOGQ-UHFFFAOYSA-N
XLogP1.70
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106920
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-[6-(chloromethyl)-4-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106349
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
ethyl 2-[3-(chloromethyl)-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 133106105
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134662400
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134662470
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (CID 134686451) is ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(C#N)c(O)c1C(F)F.
What is the InChIKey of ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The InChIKey is QXCWKSHOJIKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-2-18-8(16)3-6-5-15-7(4-14)10(17)9(6)11(12)13/h5,11,17H,2-3H2,1H3.
What are the key properties of ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate has a molecular weight of 256.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is sourced from PubChem (CID 134686451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).