trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol

C13H15N3O3 — CID 102732364

IUPACtrans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc2cnn([C@@H]3CCCC[C@H]3O)c2c1
InChIInChI=1S/C13H15N3O3/c17-13-4-2-1-3-11(13)15-12-7-10(16(18)19)6-5-9(12)8-14-15/h5-8,11,13,17H,1-4H2/t11-,13-/m1/s1
InChIKeyAPHPSTGCXHRUSR-DGCLKSJQSA-N
MW261.28 g/mol
LogP2.42
Rot. Bonds2

About trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol (PubChem CID 102732364) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
PubChem CID102732364
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nametrans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc2cnn([C@@H]3CCCC[C@H]3O)c2c1
InChIInChI=1S/C13H15N3O3/c17-13-4-2-1-3-11(13)15-12-7-10(16(18)19)6-5-9(12)8-14-15/h5-8,11,13,17H,1-4H2/t11-,13-/m1/s1
InChIKeyAPHPSTGCXHRUSR-DGCLKSJQSA-N
XLogP2.42
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.42
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-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole
CID 68609697
1-(1-ethylpiperidin-4-yl)-6-nitroindazole
CID 68609478
6-nitro-1-(1-propylpiperidin-4-yl)indazole
CID 68607900
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one
CID 60884906
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060708
1-(1-ethylpiperidin-4-yl)-5-nitroindazole
CID 68610601
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-butyl-6-nitroindazole
CID 155169975
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol (CID 102732364) is trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol is O=[N+]([O-])c1ccc2cnn([C@@H]3CCCC[C@H]3O)c2c1.
What is the InChIKey of trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol?
The InChIKey is APHPSTGCXHRUSR-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13-4-2-1-3-11(13)15-12-7-10(16(18)19)6-5-9(12)8-14-15/h5-8,11,13,17H,1-4H2/t11-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol has a molecular weight of 261.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102732364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).