7-nitro-1-[(2R)-oxan-2-yl]indazole

C12H13N3O3 — CID 97052367

IUPAC7-nitro-1-[(2R)-oxan-2-yl]indazole
SMILESO=[N+]([O-])c1cccc2cnn([C@H]3CCCCO3)c12
InChIInChI=1S/C12H13N3O3/c16-15(17)10-5-3-4-9-8-13-14(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2/t11-/m1/s1
InChIKeyPWMSYDXGAOVYJO-LLVKDONJSA-N
MW247.25 g/mol
LogP2.64
Rot. Bonds2

About 7-nitro-1-[(2R)-oxan-2-yl]indazole

7-nitro-1-[(2R)-oxan-2-yl]indazole (PubChem CID 97052367) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 7-nitro-1-[(2R)-oxan-2-yl]indazole.

Molecular Properties

Compound Name7-nitro-1-[(2R)-oxan-2-yl]indazole
PubChem CID97052367
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name7-nitro-1-[(2R)-oxan-2-yl]indazole
SMILESO=[N+]([O-])c1cccc2cnn([C@H]3CCCCO3)c12
InChIInChI=1S/C12H13N3O3/c16-15(17)10-5-3-4-9-8-13-14(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2/t11-/m1/s1
InChIKeyPWMSYDXGAOVYJO-LLVKDONJSA-N
XLogP2.64
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.64
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

7-azido-1-(oxan-2-yl)indazole
CID 169325768
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350
1-[4-nitro-1-[(2S)-oxan-2-yl]pyrazol-5-yl]ethanone
CID 124674893
6-ethenyl-5-nitro-1-(oxan-2-yl)indazole
CID 171567671
2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168608920
4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329679
CID 162044579
CID 162044579
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1-[(2R)-oxan-2-yl]indazole?
The IUPAC name of 7-nitro-1-[(2R)-oxan-2-yl]indazole (CID 97052367) is 7-nitro-1-[(2R)-oxan-2-yl]indazole.
What is the SMILES notation for 7-nitro-1-[(2R)-oxan-2-yl]indazole?
The canonical SMILES for 7-nitro-1-[(2R)-oxan-2-yl]indazole is O=[N+]([O-])c1cccc2cnn([C@H]3CCCCO3)c12.
What is the InChIKey of 7-nitro-1-[(2R)-oxan-2-yl]indazole?
The InChIKey is PWMSYDXGAOVYJO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-15(17)10-5-3-4-9-8-13-14(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2/t11-/m1/s1.
What are the key properties of 7-nitro-1-[(2R)-oxan-2-yl]indazole?
7-nitro-1-[(2R)-oxan-2-yl]indazole has a molecular weight of 247.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1-[(2R)-oxan-2-yl]indazole is sourced from PubChem (CID 97052367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).