6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile

C13H11N3O — CID 162439983

IUPAC6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C13H11N3O/c1-17-13-10(8-14)4-7-12(16-13)9-2-5-11(15)6-3-9/h2-7H,15H2,1H3
InChIKeyRXWKKYJEFLRGJR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.21
Rot. Bonds2

About 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile

6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 162439983) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
PubChem CID162439983
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C13H11N3O/c1-17-13-10(8-14)4-7-12(16-13)9-2-5-11(15)6-3-9/h2-7H,15H2,1H3
InChIKeyRXWKKYJEFLRGJR-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile (CID 162439983) is 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile is COc1nc(-c2ccc(N)cc2)ccc1C#N.
What is the InChIKey of 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is RXWKKYJEFLRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-10(8-14)4-7-12(16-13)9-2-5-11(15)6-3-9/h2-7H,15H2,1H3.
What are the key properties of 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile?
6-(4-aminophenyl)-2-methoxypyridine-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 6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 162439983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).