2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C10H10F3N3O2 — CID 134666110

IUPAC2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1cc(CN)c(OC(F)(F)F)nc1CC#N
InChIInChI=1S/C10H10F3N3O2/c1-17-8-4-6(5-15)9(18-10(11,12)13)16-7(8)2-3-14/h4H,2,5,15H2,1H3
InChIKeyAECCJIZBWJPQGR-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.51
Rot. Bonds4

About 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 134666110) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID134666110
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1cc(CN)c(OC(F)(F)F)nc1CC#N
InChIInChI=1S/C10H10F3N3O2/c1-17-8-4-6(5-15)9(18-10(11,12)13)16-7(8)2-3-14/h4H,2,5,15H2,1H3
InChIKeyAECCJIZBWJPQGR-UHFFFAOYSA-N
XLogP1.51
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665618
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682687
2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 134666110) is 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is COc1cc(CN)c(OC(F)(F)F)nc1CC#N.
What is the InChIKey of 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is AECCJIZBWJPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-17-8-4-6(5-15)9(18-10(11,12)13)16-7(8)2-3-14/h4H,2,5,15H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 261.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134666110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).