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

C9H8F3NO2 — CID 133091158

IUPACmethyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nccc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO2/c1-15-7(14)4-6-8(9(11)12)5(10)2-3-13-6/h2-3,9H,4H2,1H3
InChIKeyCOFAQQBXENWWCW-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.87
Rot. Bonds3

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

methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (PubChem CID 133091158) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
PubChem CID133091158
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nccc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO2/c1-15-7(14)4-6-8(9(11)12)5(10)2-3-13-6/h2-3,9H,4H2,1H3
InChIKeyCOFAQQBXENWWCW-UHFFFAOYSA-N
XLogP1.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666514
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
methyl 2-[4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133091160
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
CID 133105429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (CID 133091158) is methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is COC(=O)Cc1nccc(F)c1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The InChIKey is COFAQQBXENWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-15-7(14)4-6-8(9(11)12)5(10)2-3-13-6/h2-3,9H,4H2,1H3.
What are the key properties of methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate has a molecular weight of 219.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 133091158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).