methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate

C11H10F2N2O2 — CID 133107684

IUPACmethyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(C#N)c1C
InChIInChI=1S/C11H10F2N2O2/c1-6-7(3-10(16)17-2)8(11(12)13)5-15-9(6)4-14/h5,11H,3H2,1-2H3
InChIKeyMHAHGRZGQWNHBV-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate

methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (PubChem CID 133107684) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
PubChem CID133107684
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(C#N)c1C
InChIInChI=1S/C11H10F2N2O2/c1-6-7(3-10(16)17-2)8(11(12)13)5-15-9(6)4-14/h5,11H,3H2,1-2H3
InChIKeyMHAHGRZGQWNHBV-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-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
ethyl 2-[3-(chloromethyl)-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 133106105
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 4-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133106381
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (CID 133107684) is methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cnc(C#N)c1C.
What is the InChIKey of methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The InChIKey is MHAHGRZGQWNHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6-7(3-10(16)17-2)8(11(12)13)5-15-9(6)4-14/h5,11H,3H2,1-2H3.
What are the key properties of methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-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-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 133107684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).