2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C8H6F3N3 — CID 125129561

IUPAC2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-2-1-5(13)6(14-7)3-4-12/h1-2H,3,13H2
InChIKeyXDUPPEYXMHJYPY-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds1

About 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 125129561) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID125129561
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-2-1-5(13)6(14-7)3-4-12/h1-2H,3,13H2
InChIKeyXDUPPEYXMHJYPY-UHFFFAOYSA-N
XLogP1.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-amino-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 53414335
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
CID 131117863
2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134622062
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
5-[3-amino-6-(trifluoromethyl)-2-pyridinyl]pent-4-ynoic acid
CID 68678300
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 170733413
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
CID 162523537
2-[5-amino-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623963
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
CID 84771568
2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
CID 84763072

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 125129561) is 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is XDUPPEYXMHJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)7-2-1-5(13)6(14-7)3-4-12/h1-2H,3,13H2.
What are the key properties of 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 125129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).