2-methyldibenzofuran-3-diazonium

C13H9N2O+ — CID 86032605

IUPAC2-methyldibenzofuran-3-diazonium
SMILESCc1cc2c(cc1[N+]#N)oc1ccccc12
InChIInChI=1S/C13H9N2O/c1-8-6-10-9-4-2-3-5-12(9)16-13(10)7-11(8)15-14/h2-7H,1H3/q+1
InChIKeyJFJKMGLOWFTFKI-UHFFFAOYSA-N
MW209.23 g/mol
LogP4.38
Rot. Bonds

About 2-methyldibenzofuran-3-diazonium

2-methyldibenzofuran-3-diazonium (PubChem CID 86032605) has the molecular formula C13H9N2O+ and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-methyldibenzofuran-3-diazonium.

Molecular Properties

Compound Name2-methyldibenzofuran-3-diazonium
PubChem CID86032605
Molecular FormulaC13H9N2O+
Molecular Weight209.23 g/mol
Exact Mass209.07
IUPAC Name2-methyldibenzofuran-3-diazonium
SMILESCc1cc2c(cc1[N+]#N)oc1ccccc12
InChIInChI=1S/C13H9N2O/c1-8-6-10-9-4-2-3-5-12(9)16-13(10)7-11(8)15-14/h2-7H,1H3/q+1
InChIKeyJFJKMGLOWFTFKI-UHFFFAOYSA-N
XLogP4.38
TPSA41.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxydibenzofuran-3-diazonium chloride
CID 87576667
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
9-methyl-27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21,23,25-tetradecaene
CID 161172312
19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627
2-aminodibenzofuran-3-ol
CID 20610456
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
dibenzofuran-2-amine
CID 19405
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-(2-methylphenyl)dibenzofuran
CID 118188503

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran-3-diazonium?
The IUPAC name of 2-methyldibenzofuran-3-diazonium (CID 86032605) is 2-methyldibenzofuran-3-diazonium.
What is the SMILES notation for 2-methyldibenzofuran-3-diazonium?
The canonical SMILES for 2-methyldibenzofuran-3-diazonium is Cc1cc2c(cc1[N+]#N)oc1ccccc12.
What is the InChIKey of 2-methyldibenzofuran-3-diazonium?
The InChIKey is JFJKMGLOWFTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N2O/c1-8-6-10-9-4-2-3-5-12(9)16-13(10)7-11(8)15-14/h2-7H,1H3/q+1.
What are the key properties of 2-methyldibenzofuran-3-diazonium?
2-methyldibenzofuran-3-diazonium has a molecular weight of 209.23 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran-3-diazonium is sourced from PubChem (CID 86032605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).