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

C11H9ClF2N2O2 — CID 171029621

IUPACethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1
InChIInChI=1S/C11H9ClF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4H2,1H3
InChIKeyHOMAGLGNKLYXEZ-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.65
Rot. Bonds4

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

ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 171029621) has the molecular formula C11H9ClF2N2O2 and a molecular weight of 274.65 g/mol. Its IUPAC name is ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID171029621
Molecular FormulaC11H9ClF2N2O2
Molecular Weight274.65 g/mol
Exact Mass274.03
IUPAC Nameethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1
InChIInChI=1S/C11H9ClF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4H2,1H3
InChIKeyHOMAGLGNKLYXEZ-UHFFFAOYSA-N
XLogP2.65
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
ethyl 2-[6-chloro-2-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685788
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[5-(aminomethyl)-6-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133106905
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
ethyl 2-[2-cyano-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134671082
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (CID 171029621) is ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1.
What is the InChIKey of ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is HOMAGLGNKLYXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 274.65 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 171029621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).