3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

C11H9F2N5 — CID 155803941

IUPAC3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
SMILESNc1ccc(/N=N/c2cccc(F)c2F)c(N)n1
InChIInChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)/b18-17+
InChIKeyKBEPGXDKUHLALK-ISLYRVAYSA-N
MW249.22 g/mol
LogP2.94
Rot. Bonds2

About 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine (PubChem CID 155803941) has the molecular formula C11H9F2N5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
PubChem CID155803941
Molecular FormulaC11H9F2N5
Molecular Weight249.22 g/mol
Exact Mass249.08
IUPAC Name3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
SMILESNc1ccc(/N=N/c2cccc(F)c2F)c(N)n1
InChIInChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)/b18-17+
InChIKeyKBEPGXDKUHLALK-ISLYRVAYSA-N
XLogP2.94
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Phenazopyridine
CID 4756
Phenazopyridine hydrochloride
CID 8691
Pyridine, 3-((o-chlorophenyl)azo)-2,6-diamino-
CID 97205
Quinoxaline-2,3-diamine
CID 241488
2-Amino-6-(trifluoromethyl)pyridine
CID 821024
2,6-Diamino-3-((pyridin-3-yl)azo)pyridine
CID 21909555
2,6-Diamino-3-((2,5-dichlorophenyl)azo)pyridine
CID 97206
2,4,6-Triamino-5-phenylazopyrimidine
CID 99627
2,3,6-Triaminopyridine
CID 78015
6-Methylpyridine-2,3-diamine
CID 2734420
6-Fluoropyridin-2-amine
CID 2761399
5-(p-Fluorophenylazo)-2,4,6-triaminopyrimidine
CID 200609

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine?
The IUPAC name of 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine (CID 155803941) is 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine is Nc1ccc(/N=N/c2cccc(F)c2F)c(N)n1.
What is the InChIKey of 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine?
The InChIKey is KBEPGXDKUHLALK-ISLYRVAYSA-N. The full InChI is InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)/b18-17+.
What are the key properties of 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine?
3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine has a molecular weight of 249.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine is sourced from PubChem (CID 155803941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).