5-bromo-6-chloro-7-nitro-1H-indazol-3-amine

C7H4BrClN4O2 — CID 22319652

IUPAC5-bromo-6-chloro-7-nitro-1H-indazol-3-amine
SMILESNc1n[nH]c2c([N+](=O)[O-])c(Cl)c(Br)cc12
InChIInChI=1S/C7H4BrClN4O2/c8-3-1-2-5(11-12-7(2)10)6(4(3)9)13(14)15/h1H,(H3,10,11,12)
InChIKeyZGKBPZZUHBIZBG-UHFFFAOYSA-N
MW291.49 g/mol
LogP2.47
Rot. Bonds1

About 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine

5-bromo-6-chloro-7-nitro-1H-indazol-3-amine (PubChem CID 22319652) has the molecular formula C7H4BrClN4O2 and a molecular weight of 291.49 g/mol. Its IUPAC name is 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-7-nitro-1H-indazol-3-amine
PubChem CID22319652
Molecular FormulaC7H4BrClN4O2
Molecular Weight291.49 g/mol
Exact Mass289.92
IUPAC Name5-bromo-6-chloro-7-nitro-1H-indazol-3-amine
SMILESNc1n[nH]c2c([N+](=O)[O-])c(Cl)c(Br)cc12
InChIInChI=1S/C7H4BrClN4O2/c8-3-1-2-5(11-12-7(2)10)6(4(3)9)13(14)15/h1H,(H3,10,11,12)
InChIKeyZGKBPZZUHBIZBG-UHFFFAOYSA-N
XLogP2.47
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-nitro-1H-pyrazole-3,5-diamine
CID 3902379
5-bromo-3-chloro-6-nitro-2H-indazole
CID 70680679
5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172
3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine
CID 135582783
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
4,6-dichloro-2-nitrobenzene-1,3-diamine
CID 131861506
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
4-bromo-2-nitrobenzene-1,3-diamine
CID 75365891
1-bromo-3,4-dichloro-2-nitrobenzene
CID 118813548
3,4,6-trichloro-2-nitroaniline
CID 3397577
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
CID 122603922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine?
The IUPAC name of 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine (CID 22319652) is 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine?
The canonical SMILES for 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine is Nc1n[nH]c2c([N+](=O)[O-])c(Cl)c(Br)cc12.
What is the InChIKey of 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine?
The InChIKey is ZGKBPZZUHBIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN4O2/c8-3-1-2-5(11-12-7(2)10)6(4(3)9)13(14)15/h1H,(H3,10,11,12).
What are the key properties of 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine?
5-bromo-6-chloro-7-nitro-1H-indazol-3-amine has a molecular weight of 291.49 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-7-nitro-1H-indazol-3-amine is sourced from PubChem (CID 22319652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).