methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate

C10H7F3N2O2 — CID 134675623

IUPACmethyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C#N)c(F)c1C(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-7(16)2-5-4-15-6(3-14)9(11)8(5)10(12)13/h4,10H,2H2,1H3
InChIKeyCDNXQBKWHIAKKL-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate

methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate (PubChem CID 134675623) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
PubChem CID134675623
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C#N)c(F)c1C(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-7(16)2-5-4-15-6(3-14)9(11)8(5)10(12)13/h4,10H,2H2,1H3
InChIKeyCDNXQBKWHIAKKL-UHFFFAOYSA-N
XLogP1.75
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
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
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
methyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134673866
ethyl 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134662470
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate (CID 134675623) is methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate is COC(=O)Cc1cnc(C#N)c(F)c1C(F)F.
What is the InChIKey of methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate?
The InChIKey is CDNXQBKWHIAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-7(16)2-5-4-15-6(3-14)9(11)8(5)10(12)13/h4,10H,2H2,1H3.
What are the key properties of methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate?
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate has a molecular weight of 244.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate is sourced from PubChem (CID 134675623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).