3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol

C10H9ClN4O2 — CID 142311919

IUPAC3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol
SMILESO=NN1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1
InChIInChI=1S/C10H9ClN4O2/c11-7-1-6-3-12-13-9(6)8(2-7)10(16)4-15(5-10)14-17/h1-3,16H,4-5H2,(H,12,13)
InChIKeySGAJKWKQCWWEAQ-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.40
Rot. Bonds2

About 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol

3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol (PubChem CID 142311919) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol.

Molecular Properties

Compound Name3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol
PubChem CID142311919
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol
SMILESO=NN1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1
InChIInChI=1S/C10H9ClN4O2/c11-7-1-6-3-12-13-9(6)8(2-7)10(16)4-15(5-10)14-17/h1-3,16H,4-5H2,(H,12,13)
InChIKeySGAJKWKQCWWEAQ-UHFFFAOYSA-N
XLogP1.40
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
CID 134368040
(5-chloro-1H-indazol-7-yl)-(1-fluorocyclohexyl)methanol
CID 134373337
(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol
CID 134373367
(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclopropyl]methanol
CID 134373379
(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
CID 134373383
1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol
CID 134373515
1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol
CID 134373657
1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 134373726
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol
CID 134373727
(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol
CID 134373783
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
CID 134373802
(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol
CID 134373835

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol?
The IUPAC name of 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol (CID 142311919) is 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol.
What is the SMILES notation for 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol?
The canonical SMILES for 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol is O=NN1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.
What is the InChIKey of 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol?
The InChIKey is SGAJKWKQCWWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-7-1-6-3-12-13-9(6)8(2-7)10(16)4-15(5-10)14-17/h1-3,16H,4-5H2,(H,12,13).
What are the key properties of 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol?
3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol has a molecular weight of 252.66 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol is sourced from PubChem (CID 142311919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).