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

C8H6F3N3 — CID 119024029

IUPAC2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-3-7(13)14-4-5(6)1-2-12/h3-4H,1H2,(H2,13,14)
InChIKeyBAMNXUXDVOSUMI-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.75
Rot. Bonds1

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

2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119024029) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119024029
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-3-7(13)14-4-5(6)1-2-12/h3-4H,1H2,(H2,13,14)
InChIKeyBAMNXUXDVOSUMI-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

5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704330
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
4-(cyanomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 162523439
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]acetonitrile
CID 131325377
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
2-[4,5-bis(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095159
2-[6-[2-(3-methoxypropyl)phenyl]-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 67446419
2-[4,5-diisocyano-2-(trifluoromethyl)phenyl]acetonitrile
CID 177068334
2-(4-amino-2-methylsulfanylpyrimidin-5-yl)acetonitrile
CID 84768192

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 119024029) is 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is BAMNXUXDVOSUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)6-3-7(13)14-4-5(6)1-2-12/h3-4H,1H2,(H2,13,14).
What are the key properties of 2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-amino-4-(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-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).