2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C14H5Cl2N5O — CID 169395243

IUPAC2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C14H5Cl2N5O/c15-9-1-6(3-17)2-10(16)12(9)11-7(4-18)13(20)21-14(22)8(11)5-19/h1-2H,(H3,20,21,22)
InChIKeyKRSXPIDVLMJBOI-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.55
Rot. Bonds1

About 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395243) has the molecular formula C14H5Cl2N5O and a molecular weight of 330.13 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395243
Molecular FormulaC14H5Cl2N5O
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C14H5Cl2N5O/c15-9-1-6(3-17)2-10(16)12(9)11-7(4-18)13(20)21-14(22)8(11)5-19/h1-2H,(H3,20,21,22)
InChIKeyKRSXPIDVLMJBOI-UHFFFAOYSA-N
XLogP2.55
TPSA130.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395243) is 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1cc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(Cl)c1.
What is the InChIKey of 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is KRSXPIDVLMJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl2N5O/c15-9-1-6(3-17)2-10(16)12(9)11-7(4-18)13(20)21-14(22)8(11)5-19/h1-2H,(H3,20,21,22).
What are the key properties of 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 330.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).