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

C10H8F2N2O2 — CID 133097673

IUPACmethyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C#N)cn1
InChIInChI=1S/C10H8F2N2O2/c1-16-9(15)3-7-2-8(10(11)12)6(4-13)5-14-7/h2,5,10H,3H2,1H3
InChIKeyVFLOYUGKGKQVSK-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.61
Rot. Bonds3

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

methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 133097673) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID133097673
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C#N)cn1
InChIInChI=1S/C10H8F2N2O2/c1-16-9(15)3-7-2-8(10(11)12)6(4-13)5-14-7/h2,5,10H,3H2,1H3
InChIKeyVFLOYUGKGKQVSK-UHFFFAOYSA-N
XLogP1.61
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate
CID 130982428
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
methyl 2-[5-cyano-3-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134674373
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
methyl 2-[5-cyano-4-(difluoromethyl)-2-ethylphenyl]acetate
CID 134613383
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-[4-(difluoromethyl)-5-fluoro-6-nitro-2-pyridinyl]acetate
CID 133104656
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
methyl 2-[3-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134684975
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (CID 133097673) is methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(C#N)cn1.
What is the InChIKey of methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is VFLOYUGKGKQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-16-9(15)3-7-2-8(10(11)12)6(4-13)5-14-7/h2,5,10H,3H2,1H3.
What are the key properties of methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 226.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133097673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).