3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol

C10H9N3O3 — CID 169454030

IUPAC3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1cccc2c(C=CCO)[nH]nc12
InChIInChI=1S/C10H9N3O3/c14-6-2-4-8-7-3-1-5-9(13(15)16)10(7)12-11-8/h1-5,14H,6H2,(H,11,12)
InChIKeyZRIPRHYXAOECQN-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.48
Rot. Bonds3

About 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol

3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol (PubChem CID 169454030) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
PubChem CID169454030
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1cccc2c(C=CCO)[nH]nc12
InChIInChI=1S/C10H9N3O3/c14-6-2-4-8-7-3-1-5-9(13(15)16)10(7)12-11-8/h1-5,14H,6H2,(H,11,12)
InChIKeyZRIPRHYXAOECQN-UHFFFAOYSA-N
XLogP1.48
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
CID 170484352
4-(7-nitro-2H-indazol-3-yl)but-3-enamide
CID 170798723
N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
CID 169466269
9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169470373
1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
CID 170818682
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
CID 70911848
3-[4-(hydroxymethyl)-3-nitrophenyl]prop-2-en-1-ol
CID 169453917
4,7-dinitro-2H-benzotriazole
CID 54319685
1,5,9-trinitrotriphenylene
CID 86227277
(2-nitrophenyl)methanol
CID 11923
1-nitronaphthalene;hydrate
CID 174470741

Frequently Asked Questions

What is the IUPAC name of 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol?
The IUPAC name of 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol (CID 169454030) is 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol is O=[N+]([O-])c1cccc2c(C=CCO)[nH]nc12.
What is the InChIKey of 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol?
The InChIKey is ZRIPRHYXAOECQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-6-2-4-8-7-3-1-5-9(13(15)16)10(7)12-11-8/h1-5,14H,6H2,(H,11,12).
What are the key properties of 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol?
3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol has a molecular weight of 219.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 169454030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).