3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol

C14H10BrN3O3 — CID 110169633

IUPAC3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol
SMILESO=[N+]([O-])c1cccc(Cn2nc(Br)c3cc(O)ccc32)c1
InChIInChI=1S/C14H10BrN3O3/c15-14-12-7-11(19)4-5-13(12)17(16-14)8-9-2-1-3-10(6-9)18(20)21/h1-7,19H,8H2
InChIKeyDXFNUJONDVIRPS-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.46
Rot. Bonds3

About 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol

3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol (PubChem CID 110169633) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol.

Molecular Properties

Compound Name3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol
PubChem CID110169633
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol
SMILESO=[N+]([O-])c1cccc(Cn2nc(Br)c3cc(O)ccc32)c1
InChIInChI=1S/C14H10BrN3O3/c15-14-12-7-11(19)4-5-13(12)17(16-14)8-9-2-1-3-10(6-9)18(20)21/h1-7,19H,8H2
InChIKeyDXFNUJONDVIRPS-UHFFFAOYSA-N
XLogP3.46
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-hydroxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2,6-dichlorobenzoate
CID 110169664
3-bromo-5-methyl-1-[(3-nitrophenyl)methyl]pyrazole
CID 172847975
4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]phenol
CID 36839446
[5-methoxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2-methylpropanoate
CID 110169592
1-[(3-nitrophenyl)methyl]pyrrole-2,5-diol
CID 90709675
[5-methoxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2,4,6-trifluorobenzoate
CID 110169703
2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
CID 134281193
6-(4-bromophenyl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663565
1-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 777340
4-[(3-nitrophenyl)methyl]-1H-tetrazol-5-one
CID 150670367
1-[3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 62728559
5-amino-1-[(3-nitrophenyl)methyl]triazole-4-carboxamide
CID 18558698

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol?
The IUPAC name of 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol (CID 110169633) is 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol.
What is the SMILES notation for 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol?
The canonical SMILES for 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol is O=[N+]([O-])c1cccc(Cn2nc(Br)c3cc(O)ccc32)c1.
What is the InChIKey of 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol?
The InChIKey is DXFNUJONDVIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-14-12-7-11(19)4-5-13(12)17(16-14)8-9-2-1-3-10(6-9)18(20)21/h1-7,19H,8H2.
What are the key properties of 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol?
3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol has a molecular weight of 348.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol is sourced from PubChem (CID 110169633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).