2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile

C14H9Cl2N4O+ — CID 6922232

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile
SMILESCOc1[nH+]c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H8Cl2N4O/c1-21-14-10(6-18)12(9(5-17)13(19)20-14)8-3-2-7(15)4-11(8)16/h2-4H,1H3,(H2,19,20)/p+1
InChIKeyWTHRUZWFBGQTQE-UHFFFAOYSA-O
MW320.16 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile

2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile (PubChem CID 6922232) has the molecular formula C14H9Cl2N4O+ and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile
PubChem CID6922232
Molecular FormulaC14H9Cl2N4O+
Molecular Weight320.16 g/mol
Exact Mass319.01
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile
SMILESCOc1[nH+]c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H8Cl2N4O/c1-21-14-10(6-18)12(9(5-17)13(19)20-14)8-3-2-7(15)4-11(8)16/h2-4H,1H3,(H2,19,20)/p+1
InChIKeyWTHRUZWFBGQTQE-UHFFFAOYSA-O
XLogP2.81
TPSA96.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methoxy-4-(4-methylsulfanylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 7455654
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
2-amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
3-amino-6-(2,4-dichlorophenyl)-2-(methylamino)benzonitrile
CID 59218654
2-amino-4-(2,4-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543957
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,4-dichlorophenyl)pyridin-1-ium-3-carbonitrile
CID 6967196
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-6-(2,4-dichlorophenyl)-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3389205
2-amino-4-(2,4-dichlorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230671
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile (CID 6922232) is 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile is COc1[nH+]c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is WTHRUZWFBGQTQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H8Cl2N4O/c1-21-14-10(6-18)12(9(5-17)13(19)20-14)8-3-2-7(15)4-11(8)16/h2-4H,1H3,(H2,19,20)/p+1.
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile?
2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 320.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 6922232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).