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

C11H10F2N2O3 — CID 134672370

IUPACethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C#N)c(C(F)F)cc1O
InChIInChI=1S/C11H10F2N2O3/c1-2-18-10(17)4-7-9(16)3-6(11(12)13)8(5-14)15-7/h3,11,16H,2,4H2,1H3
InChIKeyLAQZWNGCOFPAGS-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.70
Rot. Bonds4

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

ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (PubChem CID 134672370) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
PubChem CID134672370
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C#N)c(C(F)F)cc1O
InChIInChI=1S/C11H10F2N2O3/c1-2-18-10(17)4-7-9(16)3-6(11(12)13)8(5-14)15-7/h3,11,16H,2,4H2,1H3
InChIKeyLAQZWNGCOFPAGS-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-[5-(aminomethyl)-6-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133106905
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
ethyl 2-[3-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134686580
ethyl 2-[6-chloro-2-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685788
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
ethyl 2-[2-cyano-5-(difluoromethyl)-4-hydroxyphenyl]acetate
CID 134654491
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145
ethyl 3-(bromomethyl)-6-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107669

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (CID 134672370) is ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is CCOC(=O)Cc1nc(C#N)c(C(F)F)cc1O.
What is the InChIKey of ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The InChIKey is LAQZWNGCOFPAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-2-18-10(17)4-7-9(16)3-6(11(12)13)8(5-14)15-7/h3,11,16H,2,4H2,1H3.
What are the key properties of ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-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-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is sourced from PubChem (CID 134672370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).