4-amino-5,6-difluoropyridine-2-carbonitrile

C6H3F2N3 — CID 70497940

IUPAC4-amino-5,6-difluoropyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(F)c(F)n1
InChIInChI=1S/C6H3F2N3/c7-5-4(10)1-3(2-9)11-6(5)8/h1H,(H2,10,11)
InChIKeyUTLZNCZCKUJAAI-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.81
Rot. Bonds

About 4-amino-5,6-difluoropyridine-2-carbonitrile

4-amino-5,6-difluoropyridine-2-carbonitrile (PubChem CID 70497940) has the molecular formula C6H3F2N3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-amino-5,6-difluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5,6-difluoropyridine-2-carbonitrile
PubChem CID70497940
Molecular FormulaC6H3F2N3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-amino-5,6-difluoropyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(F)c(F)n1
InChIInChI=1S/C6H3F2N3/c7-5-4(10)1-3(2-9)11-6(5)8/h1H,(H2,10,11)
InChIKeyUTLZNCZCKUJAAI-UHFFFAOYSA-N
XLogP0.81
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-amino-5,6-difluoropyridine-2-carbonitrile?
The IUPAC name of 4-amino-5,6-difluoropyridine-2-carbonitrile (CID 70497940) is 4-amino-5,6-difluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-5,6-difluoropyridine-2-carbonitrile?
The canonical SMILES for 4-amino-5,6-difluoropyridine-2-carbonitrile is N#Cc1cc(N)c(F)c(F)n1.
What is the InChIKey of 4-amino-5,6-difluoropyridine-2-carbonitrile?
The InChIKey is UTLZNCZCKUJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2N3/c7-5-4(10)1-3(2-9)11-6(5)8/h1H,(H2,10,11).
What are the key properties of 4-amino-5,6-difluoropyridine-2-carbonitrile?
4-amino-5,6-difluoropyridine-2-carbonitrile has a molecular weight of 155.11 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-difluoropyridine-2-carbonitrile is sourced from PubChem (CID 70497940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).