5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine

C10H13F4N3O3 — CID 167696388

IUPAC5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
SMILESCOc1cc(CN=[N+]=[N-])cc(OC)c1OC.FF.FF
InChIInChI=1S/C10H13N3O3.2F2/c1-14-8-4-7(6-12-13-11)5-9(15-2)10(8)16-3;2*1-2/h4-5H,6H2,1-3H3;;
InChIKeyXSGIAXMVWMUUSY-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.20
Rot. Bonds5

About 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine

5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine (PubChem CID 167696388) has the molecular formula C10H13F4N3O3 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine.

Molecular Properties

Compound Name5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
PubChem CID167696388
Molecular FormulaC10H13F4N3O3
Molecular Weight299.22 g/mol
Exact Mass299.09
IUPAC Name5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
SMILESCOc1cc(CN=[N+]=[N-])cc(OC)c1OC.FF.FF
InChIInChI=1S/C10H13N3O3.2F2/c1-14-8-4-7(6-12-13-11)5-9(15-2)10(8)16-3;2*1-2/h4-5H,6H2,1-3H3;;
InChIKeyXSGIAXMVWMUUSY-UHFFFAOYSA-N
XLogP4.20
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698
1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
CID 58764698
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
[4-(azidomethyl)-2-methoxyphenyl] 2,2-dimethylpropanoate
CID 101457350
4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene
CID 91622888
1-(azidomethyl)-2-methoxybenzene
CID 11263685
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene
CID 91105164
2,4-diazido-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
CID 22316401

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine?
The IUPAC name of 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine (CID 167696388) is 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine.
What is the SMILES notation for 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine?
The canonical SMILES for 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine is COc1cc(CN=[N+]=[N-])cc(OC)c1OC.FF.FF.
What is the InChIKey of 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine?
The InChIKey is XSGIAXMVWMUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.2F2/c1-14-8-4-7(6-12-13-11)5-9(15-2)10(8)16-3;2*1-2/h4-5H,6H2,1-3H3;;.
What are the key properties of 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine?
5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine has a molecular weight of 299.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine is sourced from PubChem (CID 167696388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).