2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C13H11N3O — CID 62196954

IUPAC2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(N)n2)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-14)13(15)16-12/h2-7H,1H3,(H2,15,16)
InChIKeyGGNFXYUQAJJZSB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 62196954) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID62196954
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(N)n2)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-14)13(15)16-12/h2-7H,1H3,(H2,15,16)
InChIKeyGGNFXYUQAJJZSB-UHFFFAOYSA-N
XLogP2.21
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 62196954) is 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is GGNFXYUQAJJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-14)13(15)16-12/h2-7H,1H3,(H2,15,16).
What are the key properties of 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 62196954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).