5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile

C12H9IN4 — CID 54860710

IUPAC5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccccc1I
InChIInChI=1S/C12H9IN4/c13-10-3-1-2-4-11(10)17-12-8(6-14)5-9(15)7-16-12/h1-5,7H,15H2,(H,16,17)
InChIKeyWNALUQVSYYXMDV-UHFFFAOYSA-N
MW336.14 g/mol
LogP2.88
Rot. Bonds2

About 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile

5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile (PubChem CID 54860710) has the molecular formula C12H9IN4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
PubChem CID54860710
Molecular FormulaC12H9IN4
Molecular Weight336.14 g/mol
Exact Mass335.99
IUPAC Name5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1ccccc1I
InChIInChI=1S/C12H9IN4/c13-10-3-1-2-4-11(10)17-12-8(6-14)5-9(15)7-16-12/h1-5,7H,15H2,(H,16,17)
InChIKeyWNALUQVSYYXMDV-UHFFFAOYSA-N
XLogP2.88
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile (CID 54860710) is 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1ccccc1I.
What is the InChIKey of 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile?
The InChIKey is WNALUQVSYYXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN4/c13-10-3-1-2-4-11(10)17-12-8(6-14)5-9(15)7-16-12/h1-5,7H,15H2,(H,16,17).
What are the key properties of 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile?
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile has a molecular weight of 336.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 54860710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).