2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile

C15H11ClN4O — CID 693217

IUPAC2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN4O/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20)
InChIKeyRFVAETOBPYCSPX-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile

2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile (PubChem CID 693217) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile
PubChem CID693217
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN4O/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20)
InChIKeyRFVAETOBPYCSPX-UHFFFAOYSA-N
XLogP3.13
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile (CID 693217) is 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile is CCOc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile?
The InChIKey is RFVAETOBPYCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile?
2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-ethoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 693217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).