2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride

C8H6Cl2F3N3 — CID 23078241

IUPAC2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
SMILESCl.N#CC(N)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N3.ClH/c9-5-1-4(8(10,11)12)3-15-7(5)6(14)2-13;/h1,3,6H,14H2;1H
InChIKeyYRCYSWZNRKEQJE-UHFFFAOYSA-N
MW272.06 g/mol
LogP2.70
Rot. Bonds1

About 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride

2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride (PubChem CID 23078241) has the molecular formula C8H6Cl2F3N3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
PubChem CID23078241
Molecular FormulaC8H6Cl2F3N3
Molecular Weight272.06 g/mol
Exact Mass270.99
IUPAC Name2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
SMILESCl.N#CC(N)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N3.ClH/c9-5-1-4(8(10,11)12)3-15-7(5)6(14)2-13;/h1,3,6H,14H2;1H
InChIKeyYRCYSWZNRKEQJE-UHFFFAOYSA-N
XLogP2.70
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoacetate
CID 152766144
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 3758411
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetonitrile
CID 4553007
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
(2S)-2-amino-2-[5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130961813
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(cyanomethylsulfanyl)-3-oxobutanenitrile
CID 51086328
[4-[(R)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] methanesulfonate
CID 40542936
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] acetate
CID 3818928
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride?
The IUPAC name of 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride (CID 23078241) is 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride is Cl.N#CC(N)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride?
The InChIKey is YRCYSWZNRKEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3.ClH/c9-5-1-4(8(10,11)12)3-15-7(5)6(14)2-13;/h1,3,6H,14H2;1H.
What are the key properties of 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride?
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride has a molecular weight of 272.06 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride is sourced from PubChem (CID 23078241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).