methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate

C9H7FN2O2 — CID 130982428

IUPACmethyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C#N)c(F)cn1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)3-7-2-6(4-11)8(10)5-12-7/h2,5H,3H2,1H3
InChIKeyDDUWILPRUDHAJJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.81
Rot. Bonds2

About methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate

methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate (PubChem CID 130982428) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate
PubChem CID130982428
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Namemethyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C#N)c(F)cn1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)3-7-2-6(4-11)8(10)5-12-7/h2,5H,3H2,1H3
InChIKeyDDUWILPRUDHAJJ-UHFFFAOYSA-N
XLogP0.81
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-(4-cyano-2,5-difluorophenyl)acetate
CID 86694454
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-(2-bromo-4-cyano-5-fluorophenyl)acetate
CID 131256038
5-fluoro-2-propylpyridine-4-carbonitrile
CID 156855127
2-(chloromethyl)-5-fluoropyridine-4-carbonitrile
CID 177324744
methyl 2-[2-(chloromethyl)-5-cyano-4-fluorophenyl]acetate
CID 131413132
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134658267
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate (CID 130982428) is methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate is COC(=O)Cc1cc(C#N)c(F)cn1.
What is the InChIKey of methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate?
The InChIKey is DDUWILPRUDHAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9(13)3-7-2-6(4-11)8(10)5-12-7/h2,5H,3H2,1H3.
What are the key properties of methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate?
methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate has a molecular weight of 194.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate is sourced from PubChem (CID 130982428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).