1-(6-nitroindazol-1-yl)butan-2-ol

C11H13N3O3 — CID 60884485

IUPAC1-(6-nitroindazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N3O3/c1-2-10(15)7-13-11-5-9(14(16)17)4-3-8(11)6-12-13/h3-6,10,15H,2,7H2,1H3
InChIKeyFOVTUHSEYKTRKK-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.72
Rot. Bonds4

About 1-(6-nitroindazol-1-yl)butan-2-ol

1-(6-nitroindazol-1-yl)butan-2-ol (PubChem CID 60884485) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(6-nitroindazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(6-nitroindazol-1-yl)butan-2-ol
PubChem CID60884485
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(6-nitroindazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N3O3/c1-2-10(15)7-13-11-5-9(14(16)17)4-3-8(11)6-12-13/h3-6,10,15H,2,7H2,1H3
InChIKeyFOVTUHSEYKTRKK-UHFFFAOYSA-N
XLogP1.72
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.72
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

1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
1-butyl-6-nitroindazole
CID 155169975
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
CID 81296546
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
2-methyl-N-[3-(6-nitroindazol-1-yl)propyl]propan-2-amine
CID 61387689
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitroindazol-1-yl)butan-2-ol?
The IUPAC name of 1-(6-nitroindazol-1-yl)butan-2-ol (CID 60884485) is 1-(6-nitroindazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(6-nitroindazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(6-nitroindazol-1-yl)butan-2-ol is CCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-(6-nitroindazol-1-yl)butan-2-ol?
The InChIKey is FOVTUHSEYKTRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-10(15)7-13-11-5-9(14(16)17)4-3-8(11)6-12-13/h3-6,10,15H,2,7H2,1H3.
What are the key properties of 1-(6-nitroindazol-1-yl)butan-2-ol?
1-(6-nitroindazol-1-yl)butan-2-ol has a molecular weight of 235.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitroindazol-1-yl)butan-2-ol is sourced from PubChem (CID 60884485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).