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

C8H6F3N3 — CID 130663375

IUPAC2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1C(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-5(1-2-12)3-6(13)4-14-7/h3-4H,1,13H2
InChIKeyYCKMYNYFNUCJJB-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds1

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

2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130663375) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130663375
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1C(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-5(1-2-12)3-6(13)4-14-7/h3-4H,1,13H2
InChIKeyYCKMYNYFNUCJJB-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

2-[5-nitro-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133096198
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119024029
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704330
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 130663375) is 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cc(N)cnc1C(F)(F)F.
What is the InChIKey of 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is YCKMYNYFNUCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)7-5(1-2-12)3-6(13)4-14-7/h3-4H,1,13H2.
What are the key properties of 2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[5-amino-2-(trifluoromethyl)-3-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-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130663375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).