methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate

C11H10F2N2O3 — CID 134684119

IUPACmethyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(OC)c(C#N)n1
InChIInChI=1S/C11H10F2N2O3/c1-17-9(16)4-6-3-7(11(12)13)10(18-2)8(5-14)15-6/h3,11H,4H2,1-2H3
InChIKeyLPFODZMCTHLNFL-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.61
Rot. Bonds4

About methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate

methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate (PubChem CID 134684119) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
PubChem CID134684119
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(OC)c(C#N)n1
InChIInChI=1S/C11H10F2N2O3/c1-17-9(16)4-6-3-7(11(12)13)10(18-2)8(5-14)15-6/h3,11H,4H2,1-2H3
InChIKeyLPFODZMCTHLNFL-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
CID 133102106
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate (CID 134684119) is methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(OC)c(C#N)n1.
What is the InChIKey of methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate?
The InChIKey is LPFODZMCTHLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-17-9(16)4-6-3-7(11(12)13)10(18-2)8(5-14)15-6/h3,11H,4H2,1-2H3.
What are the key properties of methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate?
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate has a molecular weight of 256.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 134684119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).