2-[(2-azidophenyl)methyl]furan

C11H9N3O — CID 142763610

IUPAC2-[(2-azidophenyl)methyl]furan
SMILES[N-]=[N+]=Nc1ccccc1Cc1ccco1
InChIInChI=1S/C11H9N3O/c12-14-13-11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1-7H,8H2
InChIKeyZGIMSJRZOIQXCV-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.81
Rot. Bonds3

About 2-[(2-azidophenyl)methyl]furan

2-[(2-azidophenyl)methyl]furan (PubChem CID 142763610) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(2-azidophenyl)methyl]furan.

Molecular Properties

Compound Name2-[(2-azidophenyl)methyl]furan
PubChem CID142763610
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-[(2-azidophenyl)methyl]furan
SMILES[N-]=[N+]=Nc1ccccc1Cc1ccco1
InChIInChI=1S/C11H9N3O/c12-14-13-11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1-7H,8H2
InChIKeyZGIMSJRZOIQXCV-UHFFFAOYSA-N
XLogP3.81
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylsulfanylphenyl)methyl]furan
CID 21387627
2-ethyl-3-(furan-2-ylmethyl)pyridine
CID 173468661
1-azido-2-(3-benzylsulfanylpropyl)benzene
CID 10493251
2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
CID 173340637
1-azido-2-methylbenzene;dichloromethane
CID 174936833
1-azido-2-[(2-chlorophenyl)methylsulfanyl]benzene
CID 169325083
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
2-(furan-2-ylmethyl)-6-prop-1-en-2-ylphenol
CID 142016234
1,3-diazido-2-methylbenzene
CID 71379514
3-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 140674320
2-[4-(furan-2-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 96624702
furan-2-ylmethanethiol
CID 158949317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-azidophenyl)methyl]furan?
The IUPAC name of 2-[(2-azidophenyl)methyl]furan (CID 142763610) is 2-[(2-azidophenyl)methyl]furan.
What is the SMILES notation for 2-[(2-azidophenyl)methyl]furan?
The canonical SMILES for 2-[(2-azidophenyl)methyl]furan is [N-]=[N+]=Nc1ccccc1Cc1ccco1.
What is the InChIKey of 2-[(2-azidophenyl)methyl]furan?
The InChIKey is ZGIMSJRZOIQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-14-13-11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1-7H,8H2.
What are the key properties of 2-[(2-azidophenyl)methyl]furan?
2-[(2-azidophenyl)methyl]furan has a molecular weight of 199.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azidophenyl)methyl]furan is sourced from PubChem (CID 142763610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).