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

C11H10F2N2O2 — CID 133107710

IUPACmethyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C)cc(C#N)c1C(F)F
InChIInChI=1S/C11H10F2N2O2/c1-6-3-7(5-14)10(11(12)13)8(15-6)4-9(16)17-2/h3,11H,4H2,1-2H3
InChIKeyPBRFAWYAOXPVBN-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.91
Rot. Bonds3

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

methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate (PubChem CID 133107710) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
PubChem CID133107710
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C)cc(C#N)c1C(F)F
InChIInChI=1S/C11H10F2N2O2/c1-6-3-7(5-14)10(11(12)13)8(15-6)4-9(16)17-2/h3,11H,4H2,1-2H3
InChIKeyPBRFAWYAOXPVBN-UHFFFAOYSA-N
XLogP1.91
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
methyl 2-[5-cyano-3-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134674373
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-cyano-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134664036
methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134685308
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate (CID 133107710) is methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate is COC(=O)Cc1nc(C)cc(C#N)c1C(F)F.
What is the InChIKey of methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate?
The InChIKey is PBRFAWYAOXPVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6-3-7(5-14)10(11(12)13)8(15-6)4-9(16)17-2/h3,11H,4H2,1-2H3.
What are the key properties of methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate?
methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate has a molecular weight of 240.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133107710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).