3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole

C14H10Br2N6O2 — CID 159473762

IUPAC3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
SMILESNc1ccc2n[nH]c(Br)c2c1.O=[N+]([O-])c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C7H4BrN3O2.C7H6BrN3/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,9,10);1-3H,9H2,(H,10,11)
InChIKeyLWCUKPXENZUJKR-UHFFFAOYSA-N
MW454.08 g/mol
LogP4.14
Rot. Bonds1

About 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole

3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole (PubChem CID 159473762) has the molecular formula C14H10Br2N6O2 and a molecular weight of 454.08 g/mol. Its IUPAC name is 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole.

Molecular Properties

Compound Name3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
PubChem CID159473762
Molecular FormulaC14H10Br2N6O2
Molecular Weight454.08 g/mol
Exact Mass451.92
IUPAC Name3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
SMILESNc1ccc2n[nH]c(Br)c2c1.O=[N+]([O-])c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C7H4BrN3O2.C7H6BrN3/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,9,10);1-3H,9H2,(H,10,11)
InChIKeyLWCUKPXENZUJKR-UHFFFAOYSA-N
XLogP4.14
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.08
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole 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

6-nitro-9H-carbazol-3-amine
CID 175861785
1,3-diethylindazol-5-amine;1,3-diethyl-5-nitroindazole;3-ethyl-5-nitro-2H-indazole
CID 159875291
3-bromo-5,6-dinitro-2H-indazole
CID 138559785
3,6-dibromo-5-nitro-2H-indazole
CID 171662384
1-(2-methoxyethyl)-3-methylindazol-5-amine;1-(2-methoxyethyl)-3-methyl-5-nitroindazole;3-methyl-5-nitro-2H-indazole
CID 158522525
3-(5-nitro-2H-indazol-3-yl)prop-2-ene-1-thiol
CID 169455971
1-(2,2-difluoroethyl)-5-nitro-3-propylindazole;1-(2,2-difluoroethyl)-3-propylindazol-5-amine;5-nitro-3-propyl-2H-indazole
CID 161055162
1-(5-nitro-2H-indazol-3-yl)-4-sulfanylbutane-1,2-diol
CID 171874935
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
CID 169474370
4-(3-nitrophenanthridin-9-yl)aniline
CID 154205991
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole?
The IUPAC name of 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole (CID 159473762) is 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole.
What is the SMILES notation for 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole?
The canonical SMILES for 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole is Nc1ccc2n[nH]c(Br)c2c1.O=[N+]([O-])c1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole?
The InChIKey is LWCUKPXENZUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2.C7H6BrN3/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,9,10);1-3H,9H2,(H,10,11).
What are the key properties of 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole?
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole has a molecular weight of 454.08 g/mol, XLogP of 4.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole is sourced from PubChem (CID 159473762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).