(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile

C8H6F3N3 — CID 130961813

IUPAC(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#C[C@@H](N)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-1-5(3-14-4-6)7(13)2-12/h1,3-4,7H,13H2/t7-/m1/s1
InChIKeyZEUSACRJUHSFQO-SSDOTTSWSA-N
MW201.15 g/mol
LogP1.62
Rot. Bonds1

About (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile

(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130961813) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130961813
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#C[C@@H](N)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-1-5(3-14-4-6)7(13)2-12/h1,3-4,7H,13H2/t7-/m1/s1
InChIKeyZEUSACRJUHSFQO-SSDOTTSWSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 30076959
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
CID 23078241
3-hexan-2-yl-5-(trifluoromethyl)pyridine
CID 134266462
3-heptan-3-yl-5-(trifluoromethyl)pyridine
CID 137443889
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
3-amino-2-diazenyl-3-[3-[(E)-2-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]phenyl]propanenitrile
CID 123971983
CID 123329918
CID 123329918
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 130961813) is (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#C[C@@H](N)c1cncc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is ZEUSACRJUHSFQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)6-1-5(3-14-4-6)7(13)2-12/h1,3-4,7H,13H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile?
(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).