2-azido-4-chloro-5-fluorophenol

C6H3ClFN3O — CID 151595284

IUPAC2-azido-4-chloro-5-fluorophenol
SMILES[N-]=[N+]=Nc1cc(Cl)c(F)cc1O
InChIInChI=1S/C6H3ClFN3O/c7-3-1-5(10-11-9)6(12)2-4(3)8/h1-2,12H
InChIKeyQJIPDXRPSDGHPK-UHFFFAOYSA-N
MW187.56 g/mol
LogP3.13
Rot. Bonds1

About 2-azido-4-chloro-5-fluorophenol

2-azido-4-chloro-5-fluorophenol (PubChem CID 151595284) has the molecular formula C6H3ClFN3O and a molecular weight of 187.56 g/mol. Its IUPAC name is 2-azido-4-chloro-5-fluorophenol.

Molecular Properties

Compound Name2-azido-4-chloro-5-fluorophenol
PubChem CID151595284
Molecular FormulaC6H3ClFN3O
Molecular Weight187.56 g/mol
Exact Mass186.99
IUPAC Name2-azido-4-chloro-5-fluorophenol
SMILES[N-]=[N+]=Nc1cc(Cl)c(F)cc1O
InChIInChI=1S/C6H3ClFN3O/c7-3-1-5(10-11-9)6(12)2-4(3)8/h1-2,12H
InChIKeyQJIPDXRPSDGHPK-UHFFFAOYSA-N
XLogP3.13
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-azido-4-chloro-5-nitrophenol
CID 151690041
2,5-dichloro-4-fluorophenol
CID 3535760
2-azido-5-methylbenzene-1,4-diol
CID 71348904
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2-bromo-4-chloro-5-fluorophenol
CID 18997596
4-chloro-6-nitrosobenzene-1,3-diol
CID 11148011
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
2-azido-4-(trifluoromethyl)phenol
CID 118418215
1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
4-azido-3-fluorobenzamide
CID 80583653

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-chloro-5-fluorophenol?
The IUPAC name of 2-azido-4-chloro-5-fluorophenol (CID 151595284) is 2-azido-4-chloro-5-fluorophenol.
What is the SMILES notation for 2-azido-4-chloro-5-fluorophenol?
The canonical SMILES for 2-azido-4-chloro-5-fluorophenol is [N-]=[N+]=Nc1cc(Cl)c(F)cc1O.
What is the InChIKey of 2-azido-4-chloro-5-fluorophenol?
The InChIKey is QJIPDXRPSDGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3O/c7-3-1-5(10-11-9)6(12)2-4(3)8/h1-2,12H.
What are the key properties of 2-azido-4-chloro-5-fluorophenol?
2-azido-4-chloro-5-fluorophenol has a molecular weight of 187.56 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-chloro-5-fluorophenol is sourced from PubChem (CID 151595284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).