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

C10H7F6N3O — CID 134672895

IUPAC2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(4-18)19-8(6(7)1-2-17)20-10(14,15)16/h3H,1,4,18H2
InChIKeyVLJMWCAHRPSGGB-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.52
Rot. Bonds3

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

2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 134672895) has the molecular formula C10H7F6N3O and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID134672895
Molecular FormulaC10H7F6N3O
Molecular Weight299.17 g/mol
Exact Mass299.05
IUPAC Name2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(4-18)19-8(6(7)1-2-17)20-10(14,15)16/h3H,1,4,18H2
InChIKeyVLJMWCAHRPSGGB-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)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666816
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 134672895) is 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1c(C(F)(F)F)cc(CN)nc1OC(F)(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is VLJMWCAHRPSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N3O/c11-9(12,13)7-3-5(4-18)19-8(6(7)1-2-17)20-10(14,15)16/h3H,1,4,18H2.
What are the key properties of 2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-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-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134672895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).