methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate

C9H9F2NO2 — CID 134683087

IUPACmethyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(C(F)F)n1
InChIInChI=1S/C9H9F2NO2/c1-14-8(13)5-6-3-2-4-7(12-6)9(10)11/h2-4,9H,5H2,1H3
InChIKeyUMPXHQJHGVOEBQ-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134683087) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134683087
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(C(F)F)n1
InChIInChI=1S/C9H9F2NO2/c1-14-8(13)5-6-3-2-4-7(12-6)9(10)11/h2-4,9H,5H2,1H3
InChIKeyUMPXHQJHGVOEBQ-UHFFFAOYSA-N
XLogP1.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029487
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029438
[6-(difluoromethyl)-2-pyridinyl]methanamine
CID 84650730
2-(difluoromethyl)-6-(3-methoxypropyl)pyridine
CID 174797060
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate
CID 135234223
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-[2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134668549
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
2,6-bis(difluoromethyl)pyridine
CID 68586040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate (CID 134683087) is methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cccc(C(F)F)n1.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is UMPXHQJHGVOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-14-8(13)5-6-3-2-4-7(12-6)9(10)11/h2-4,9H,5H2,1H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 201.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134683087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).