2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile

C10H10F3N3O2 — CID 118803257

IUPAC2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1CC#N
InChIInChI=1S/C10H10F3N3O2/c1-17-8-5-16-7(4-15)9(6(8)2-3-14)18-10(11,12)13/h5H,2,4,15H2,1H3
InChIKeyMVDCOQBQEXEXSI-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile

2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (PubChem CID 118803257) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
PubChem CID118803257
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1CC#N
InChIInChI=1S/C10H10F3N3O2/c1-17-8-5-16-7(4-15)9(6(8)2-3-14)18-10(11,12)13/h5H,2,4,15H2,1H3
InChIKeyMVDCOQBQEXEXSI-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-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666342
[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
2-[4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095686
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile (CID 118803257) is 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is COc1cnc(CN)c(OC(F)(F)F)c1CC#N.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The InChIKey is MVDCOQBQEXEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-17-8-5-16-7(4-15)9(6(8)2-3-14)18-10(11,12)13/h5H,2,4,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-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-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118803257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).