2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H6F3IN4O — CID 169395484

IUPAC2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H6F3IN4O/c15-14(16,17)10-3-6(18)1-2-7(10)11-8(4-19)12(21)22-13(23)9(11)5-20/h1-3H,(H3,21,22,23)
InChIKeyIVQKVEPORMZJQE-UHFFFAOYSA-N
MW430.13 g/mol
LogP2.99
Rot. Bonds1

About 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395484) has the molecular formula C14H6F3IN4O and a molecular weight of 430.13 g/mol. Its IUPAC name is 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395484
Molecular FormulaC14H6F3IN4O
Molecular Weight430.13 g/mol
Exact Mass429.95
IUPAC Name2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C14H6F3IN4O/c15-14(16,17)10-3-6(18)1-2-7(10)11-8(4-19)12(21)22-13(23)9(11)5-20/h1-3H,(H3,21,22,23)
InChIKeyIVQKVEPORMZJQE-UHFFFAOYSA-N
XLogP2.99
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395484) is 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IVQKVEPORMZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3IN4O/c15-14(16,17)10-3-6(18)1-2-7(10)11-8(4-19)12(21)22-13(23)9(11)5-20/h1-3H,(H3,21,22,23).
What are the key properties of 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 430.13 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).