2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile

C13H7ClN4 — CID 2786713

IUPAC2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H7ClN4/c14-12-9(6-15)11(8-4-2-1-3-5-8)10(7-16)13(17)18-12/h1-5H,(H2,17,18)
InChIKeyMNSRKIHEJKWAMT-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.73
Rot. Bonds1

About 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 2786713) has the molecular formula C13H7ClN4 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID2786713
Molecular FormulaC13H7ClN4
Molecular Weight254.68 g/mol
Exact Mass254.04
IUPAC Name2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H7ClN4/c14-12-9(6-15)11(8-4-2-1-3-5-8)10(7-16)13(17)18-12/h1-5H,(H2,17,18)
InChIKeyMNSRKIHEJKWAMT-UHFFFAOYSA-N
XLogP2.73
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile (CID 2786713) is 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is MNSRKIHEJKWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4/c14-12-9(6-15)11(8-4-2-1-3-5-8)10(7-16)13(17)18-12/h1-5H,(H2,17,18).
What are the key properties of 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 254.68 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2786713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).