methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate

C10H10F4N2O3 — CID 134662110

IUPACmethyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C10H10F4N2O3/c1-18-8(17)3-6-7(11)2-5(4-15)16-9(6)19-10(12,13)14/h2H,3-4,15H2,1H3
InChIKeyMUPVNIBHUPUUMD-UHFFFAOYSA-N
MW282.19 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate

methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134662110) has the molecular formula C10H10F4N2O3 and a molecular weight of 282.19 g/mol. Its IUPAC name is methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134662110
Molecular FormulaC10H10F4N2O3
Molecular Weight282.19 g/mol
Exact Mass282.06
IUPAC Namemethyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C10H10F4N2O3/c1-18-8(17)3-6-7(11)2-5(4-15)16-9(6)19-10(12,13)14/h2H,3-4,15H2,1H3
InChIKeyMUPVNIBHUPUUMD-UHFFFAOYSA-N
XLogP1.29
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-(bromomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659684
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499
[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665127
methyl 2-[6-amino-2-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086083
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134663047
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134662110) is methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1c(F)cc(CN)nc1OC(F)(F)F.
What is the InChIKey of methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is MUPVNIBHUPUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O3/c1-18-8(17)3-6-7(11)2-5(4-15)16-9(6)19-10(12,13)14/h2H,3-4,15H2,1H3.
What are the key properties of methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 282.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134662110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).