2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile

C19H16N3O2+ — CID 6951829

IUPAC2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)[nH+]c(N)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22)/p+1
InChIKeyMMTPAPVBJBBVEW-UHFFFAOYSA-O
MW318.36 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile

2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile (PubChem CID 6951829) has the molecular formula C19H16N3O2+ and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile
PubChem CID6951829
Molecular FormulaC19H16N3O2+
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)[nH+]c(N)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22)/p+1
InChIKeyMMTPAPVBJBBVEW-UHFFFAOYSA-O
XLogP3.00
TPSA93.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 7378054
2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile
CID 7386481
2-amino-4-(3,4-dimethoxyphenyl)-6-(3,4-dimethylphenyl)pyridin-1-ium-3-carbonitrile
CID 7378055
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
cyanic acid;4-methoxyphenol
CID 172812844
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
2-amino-4-(4-methoxyphenyl)furan-3-carbonitrile
CID 69209744
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile (CID 6951829) is 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(O)cc3)[nH+]c(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile?
The InChIKey is MMTPAPVBJBBVEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22)/p+1.
What are the key properties of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile?
2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile has a molecular weight of 318.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 6951829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).