3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile

C7H6F3N3 — CID 137445521

IUPAC3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile
SMILESN#CC1=C(C(F)(F)F)C=C(N)CN1
InChIInChI=1S/C7H6F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,13H,3,12H2
InChIKeyYLHFUDXRGRUZEY-UHFFFAOYSA-N
MW189.14 g/mol
LogP0.77
Rot. Bonds

About 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile

3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile (PubChem CID 137445521) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile
PubChem CID137445521
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile
SMILESN#CC1=C(C(F)(F)F)C=C(N)CN1
InChIInChI=1S/C7H6F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,13H,3,12H2
InChIKeyYLHFUDXRGRUZEY-UHFFFAOYSA-N
XLogP0.77
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile?
The IUPAC name of 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile (CID 137445521) is 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile?
The canonical SMILES for 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile is N#CC1=C(C(F)(F)F)C=C(N)CN1.
What is the InChIKey of 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile?
The InChIKey is YLHFUDXRGRUZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,13H,3,12H2.
What are the key properties of 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile?
3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile has a molecular weight of 189.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 137445521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).