(4-azido-3-bromophenyl)methanol

C7H6BrN3O — CID 46929875

IUPAC(4-azido-3-bromophenyl)methanol
SMILES[N-]=[N+]=Nc1ccc(CO)cc1Br
InChIInChI=1S/C7H6BrN3O/c8-6-3-5(4-12)1-2-7(6)10-11-9/h1-3,12H,4H2
InChIKeyCYCQVWSXNOMMBL-UHFFFAOYSA-N
MW228.05 g/mol
LogP2.88
Rot. Bonds2

About (4-azido-3-bromophenyl)methanol

(4-azido-3-bromophenyl)methanol (PubChem CID 46929875) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is (4-azido-3-bromophenyl)methanol.

Molecular Properties

Compound Name(4-azido-3-bromophenyl)methanol
PubChem CID46929875
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name(4-azido-3-bromophenyl)methanol
SMILES[N-]=[N+]=Nc1ccc(CO)cc1Br
InChIInChI=1S/C7H6BrN3O/c8-6-3-5(4-12)1-2-7(6)10-11-9/h1-3,12H,4H2
InChIKeyCYCQVWSXNOMMBL-UHFFFAOYSA-N
XLogP2.88
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.88
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'}

Analyze (4-azido-3-bromophenyl)methanol 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-azido-3-bromobenzonitrile
CID 82802210
[3-azido-5-(hydroxymethyl)phenyl]methanol
CID 86006233
4-(azidomethyl)-2-bromo-1-nitrosobenzene
CID 118258424
1-azido-2-bromo-4-(trifluoromethylsulfanyl)benzene
CID 151892372
1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11573556
2-azido-1,4-dibromobenzene
CID 139064020
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
1-azido-4-bromo-2-(chloromethyl)benzene
CID 101236456
4-(azidomethyl)-2-bromophenol
CID 151022958
1-azido-4-bromo-2-phenylbenzene
CID 102165118
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
6-azido-3-bromo-2-fluorobenzoic acid
CID 169324817

Frequently Asked Questions

What is the IUPAC name of (4-azido-3-bromophenyl)methanol?
The IUPAC name of (4-azido-3-bromophenyl)methanol (CID 46929875) is (4-azido-3-bromophenyl)methanol.
What is the SMILES notation for (4-azido-3-bromophenyl)methanol?
The canonical SMILES for (4-azido-3-bromophenyl)methanol is [N-]=[N+]=Nc1ccc(CO)cc1Br.
What is the InChIKey of (4-azido-3-bromophenyl)methanol?
The InChIKey is CYCQVWSXNOMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c8-6-3-5(4-12)1-2-7(6)10-11-9/h1-3,12H,4H2.
What are the key properties of (4-azido-3-bromophenyl)methanol?
(4-azido-3-bromophenyl)methanol has a molecular weight of 228.05 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-3-bromophenyl)methanol is sourced from PubChem (CID 46929875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).