1-(3-bromo-2-pyridinyl)-6-nitroindazole

C12H7BrN4O2 — CID 61374684

IUPAC1-(3-bromo-2-pyridinyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(-c3ncccc3Br)c2c1
InChIInChI=1S/C12H7BrN4O2/c13-10-2-1-5-14-12(10)16-11-6-9(17(18)19)4-3-8(11)7-15-16/h1-7H
InChIKeyLTAJIPQWEPDPMN-UHFFFAOYSA-N
MW319.12 g/mol
LogP3.09
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-6-nitroindazole

1-(3-bromo-2-pyridinyl)-6-nitroindazole (PubChem CID 61374684) has the molecular formula C12H7BrN4O2 and a molecular weight of 319.12 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-6-nitroindazole.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-6-nitroindazole
PubChem CID61374684
Molecular FormulaC12H7BrN4O2
Molecular Weight319.12 g/mol
Exact Mass317.98
IUPAC Name1-(3-bromo-2-pyridinyl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(-c3ncccc3Br)c2c1
InChIInChI=1S/C12H7BrN4O2/c13-10-2-1-5-14-12(10)16-11-6-9(17(18)19)4-3-8(11)7-15-16/h1-7H
InChIKeyLTAJIPQWEPDPMN-UHFFFAOYSA-N
XLogP3.09
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
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

4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
CID 43142906
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
CID 9029813
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
formaldehyde;bis(7-nitroquinoline)
CID 174420238
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-butyl-6-nitroindazole
CID 155169975
8-bromo-6-nitroquinoline;6-nitroquinoline
CID 159832810
trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
CID 102732364
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 79233120

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-6-nitroindazole?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-6-nitroindazole (CID 61374684) is 1-(3-bromo-2-pyridinyl)-6-nitroindazole.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-6-nitroindazole?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-6-nitroindazole is O=[N+]([O-])c1ccc2cnn(-c3ncccc3Br)c2c1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-6-nitroindazole?
The InChIKey is LTAJIPQWEPDPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O2/c13-10-2-1-5-14-12(10)16-11-6-9(17(18)19)4-3-8(11)7-15-16/h1-7H.
What are the key properties of 1-(3-bromo-2-pyridinyl)-6-nitroindazole?
1-(3-bromo-2-pyridinyl)-6-nitroindazole has a molecular weight of 319.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-6-nitroindazole is sourced from PubChem (CID 61374684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).