cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile

C10H12FN3O — CID 165143977

IUPACcyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ccc(O)c(F)n1.NC1CCC1
InChIInChI=1S/C6H3FN2O.C4H9N/c7-6-5(10)2-1-4(3-8)9-6;5-4-2-1-3-4/h1-2,10H;4H,1-3,5H2
InChIKeyQCVFNASNLVCLGI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.30
Rot. Bonds

About cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile

cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile (PubChem CID 165143977) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Namecyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile
PubChem CID165143977
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Namecyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ccc(O)c(F)n1.NC1CCC1
InChIInChI=1S/C6H3FN2O.C4H9N/c7-6-5(10)2-1-4(3-8)9-6;5-4-2-1-3-4/h1-2,10H;4H,1-3,5H2
InChIKeyQCVFNASNLVCLGI-UHFFFAOYSA-N
XLogP1.30
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile?
The IUPAC name of cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile (CID 165143977) is cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile?
The canonical SMILES for cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile is N#Cc1ccc(O)c(F)n1.NC1CCC1.
What is the InChIKey of cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile?
The InChIKey is QCVFNASNLVCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O.C4H9N/c7-6-5(10)2-1-4(3-8)9-6;5-4-2-1-3-4/h1-2,10H;4H,1-3,5H2.
What are the key properties of cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile?
cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile has a molecular weight of 209.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 165143977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).