2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium

C11H13NO2 — CID 73294129

IUPAC2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium
SMILESCCCCc1cc2cc[n+]([O-])cc2o1
InChIInChI=1S/C11H13NO2/c1-2-3-4-10-7-9-5-6-12(13)8-11(9)14-10/h5-8H,2-4H2,1H3
InChIKeyFXOVYSQNFJABBF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.41
Rot. Bonds3

About 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium

2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium (PubChem CID 73294129) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium
PubChem CID73294129
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium
SMILESCCCCc1cc2cc[n+]([O-])cc2o1
InChIInChI=1S/C11H13NO2/c1-2-3-4-10-7-9-5-6-12(13)8-11(9)14-10/h5-8H,2-4H2,1H3
InChIKeyFXOVYSQNFJABBF-UHFFFAOYSA-N
XLogP2.41
TPSA40.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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2-butyl-1-benzofuran-5-carboxylic acid
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3-butyl-1-oxidopyridin-1-ium
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6,18-di(nonyl)-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
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7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
2-butyl-4-fluoro-1-benzofuran
CID 11240956
6-hexyl-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene
CID 58410855

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium?
The IUPAC name of 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium (CID 73294129) is 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium.
What is the SMILES notation for 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium?
The canonical SMILES for 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium is CCCCc1cc2cc[n+]([O-])cc2o1.
What is the InChIKey of 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium?
The InChIKey is FXOVYSQNFJABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-4-10-7-9-5-6-12(13)8-11(9)14-10/h5-8H,2-4H2,1H3.
What are the key properties of 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium?
2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium has a molecular weight of 191.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-oxidofuro[2,3-c]pyridin-6-ium is sourced from PubChem (CID 73294129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).