2-fluoro-6-methoxybenzoyl azide

C8H6FN3O2 — CID 65433072

IUPAC2-fluoro-6-methoxybenzoyl azide
SMILESCOc1cccc(F)c1C(=O)N=[N+]=[N-]
InChIInChI=1S/C8H6FN3O2/c1-14-6-4-2-3-5(9)7(6)8(13)11-12-10/h2-4H,1H3
InChIKeyNSNXPAJMMOUDNN-UHFFFAOYSA-N
MW195.15 g/mol
LogP2.28
Rot. Bonds2

About 2-fluoro-6-methoxybenzoyl azide

2-fluoro-6-methoxybenzoyl azide (PubChem CID 65433072) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-fluoro-6-methoxybenzoyl azide.

Molecular Properties

Compound Name2-fluoro-6-methoxybenzoyl azide
PubChem CID65433072
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name2-fluoro-6-methoxybenzoyl azide
SMILESCOc1cccc(F)c1C(=O)N=[N+]=[N-]
InChIInChI=1S/C8H6FN3O2/c1-14-6-4-2-3-5(9)7(6)8(13)11-12-10/h2-4H,1H3
InChIKeyNSNXPAJMMOUDNN-UHFFFAOYSA-N
XLogP2.28
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 52.28
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

2,3-difluorobenzoyl azide
CID 62661740
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
CID 158943354
CID 158943354
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
(2-iodo-3-methoxyphenyl) 2-fluoro-6-methoxybenzoate
CID 14629513
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522
1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone
CID 65434990
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
7-fluoro-1-benzofuran-3-carbonyl azide
CID 23599396
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
propyl 2-fluoro-6-methoxybenzoate
CID 65433073

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxybenzoyl azide?
The IUPAC name of 2-fluoro-6-methoxybenzoyl azide (CID 65433072) is 2-fluoro-6-methoxybenzoyl azide.
What is the SMILES notation for 2-fluoro-6-methoxybenzoyl azide?
The canonical SMILES for 2-fluoro-6-methoxybenzoyl azide is COc1cccc(F)c1C(=O)N=[N+]=[N-].
What is the InChIKey of 2-fluoro-6-methoxybenzoyl azide?
The InChIKey is NSNXPAJMMOUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c1-14-6-4-2-3-5(9)7(6)8(13)11-12-10/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methoxybenzoyl azide?
2-fluoro-6-methoxybenzoyl azide has a molecular weight of 195.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxybenzoyl azide is sourced from PubChem (CID 65433072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).