2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H8FIN4O2 — CID 169395837

IUPAC2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc(I)c1F
InChIInChI=1S/C14H8FIN4O2/c1-22-12-6(2-3-9(16)11(12)15)10-7(4-17)13(19)20-14(21)8(10)5-18/h2-3H,1H3,(H3,19,20,21)
InChIKeyFFWDMNXMWZWMIG-UHFFFAOYSA-N
MW410.15 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395837) has the molecular formula C14H8FIN4O2 and a molecular weight of 410.15 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395837
Molecular FormulaC14H8FIN4O2
Molecular Weight410.15 g/mol
Exact Mass409.97
IUPAC Name2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc(I)c1F
InChIInChI=1S/C14H8FIN4O2/c1-22-12-6(2-3-9(16)11(12)15)10-7(4-17)13(19)20-14(21)8(10)5-18/h2-3H,1H3,(H3,19,20,21)
InChIKeyFFWDMNXMWZWMIG-UHFFFAOYSA-N
XLogP2.12
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(3-iodo-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393341
2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-(3-bromo-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393150
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2,4-diamino-6-(3-fluoro-4-iodo-2-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398825
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[4-iodo-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395484
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393218

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395837) is 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc(I)c1F.
What is the InChIKey of 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is FFWDMNXMWZWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN4O2/c1-22-12-6(2-3-9(16)11(12)15)10-7(4-17)13(19)20-14(21)8(10)5-18/h2-3H,1H3,(H3,19,20,21).
What are the key properties of 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 410.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-4-iodo-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).