1-(azidomethyl)-2,3-dichlorobenzene

C7H5Cl2N3 — CID 21282659

IUPAC1-(azidomethyl)-2,3-dichlorobenzene
SMILES[N-]=[N+]=NCc1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2N3/c8-6-3-1-2-5(7(6)9)4-11-12-10/h1-3H,4H2
InChIKeyMDXTUDGGKVGYHO-UHFFFAOYSA-N
MW202.04 g/mol
LogP3.80
Rot. Bonds2

About 1-(azidomethyl)-2,3-dichlorobenzene

1-(azidomethyl)-2,3-dichlorobenzene (PubChem CID 21282659) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 1-(azidomethyl)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(azidomethyl)-2,3-dichlorobenzene
PubChem CID21282659
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name1-(azidomethyl)-2,3-dichlorobenzene
SMILES[N-]=[N+]=NCc1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2N3/c8-6-3-1-2-5(7(6)9)4-11-12-10/h1-3H,4H2
InChIKeyMDXTUDGGKVGYHO-UHFFFAOYSA-N
XLogP3.80
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-(azidomethyl)-2,3-difluorobenzene
CID 21282623
(2,3-dichlorophenyl)methylazanium
CID 6951258
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
1-azido-2,3-dichlorobenzene
CID 12681402
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2-[2-(azidomethyl)phenyl]acetaldehyde
CID 91527189
3-(azidomethyl)-2-chloro-8-ethylquinoline
CID 46838842
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
1-(azidomethyl)-2-methoxybenzene
CID 11263685
2-azido-N-(2,3-dichlorophenyl)acetamide
CID 55136750
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2,3-dichlorobenzene?
The IUPAC name of 1-(azidomethyl)-2,3-dichlorobenzene (CID 21282659) is 1-(azidomethyl)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(azidomethyl)-2,3-dichlorobenzene?
The canonical SMILES for 1-(azidomethyl)-2,3-dichlorobenzene is [N-]=[N+]=NCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(azidomethyl)-2,3-dichlorobenzene?
The InChIKey is MDXTUDGGKVGYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3/c8-6-3-1-2-5(7(6)9)4-11-12-10/h1-3H,4H2.
What are the key properties of 1-(azidomethyl)-2,3-dichlorobenzene?
1-(azidomethyl)-2,3-dichlorobenzene has a molecular weight of 202.04 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2,3-dichlorobenzene is sourced from PubChem (CID 21282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).