2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile

C10H7F6N3O — CID 134671444

IUPAC2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)nc(OC(F)(F)F)c1CN
InChIInChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(1-2-17)6(4-18)8(19-7)20-10(14,15)16/h3H,1,4,18H2
InChIKeyAMHIFEXWNLIAOF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.52
Rot. Bonds3

About 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile

2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 134671444) has the molecular formula C10H7F6N3O and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID134671444
Molecular FormulaC10H7F6N3O
Molecular Weight299.17 g/mol
Exact Mass299.05
IUPAC Name2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)nc(OC(F)(F)F)c1CN
InChIInChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(1-2-17)6(4-18)8(19-7)20-10(14,15)16/h3H,1,4,18H2
InChIKeyAMHIFEXWNLIAOF-UHFFFAOYSA-N
XLogP2.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134672895
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666816
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[3-(chloromethyl)-6-methyl-2-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094313
2-[2-(bromomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134659459
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 134671444) is 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)(F)F)nc(OC(F)(F)F)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is AMHIFEXWNLIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(1-2-17)6(4-18)8(19-7)20-10(14,15)16/h3H,1,4,18H2.
What are the key properties of 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 299.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134671444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).