(1-methyl-4-nitroindazol-6-yl)methanol

C9H9N3O3 — CID 155103114

IUPAC(1-methyl-4-nitroindazol-6-yl)methanol
SMILESCn1ncc2c([N+](=O)[O-])cc(CO)cc21
InChIInChI=1S/C9H9N3O3/c1-11-8-2-6(5-13)3-9(12(14)15)7(8)4-10-11/h2-4,13H,5H2,1H3
InChIKeyAWWOHJWCWMGSRE-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.97
Rot. Bonds2

About (1-methyl-4-nitroindazol-6-yl)methanol

(1-methyl-4-nitroindazol-6-yl)methanol (PubChem CID 155103114) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (1-methyl-4-nitroindazol-6-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-nitroindazol-6-yl)methanol
PubChem CID155103114
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(1-methyl-4-nitroindazol-6-yl)methanol
SMILESCn1ncc2c([N+](=O)[O-])cc(CO)cc21
InChIInChI=1S/C9H9N3O3/c1-11-8-2-6(5-13)3-9(12(14)15)7(8)4-10-11/h2-4,13H,5H2,1H3
InChIKeyAWWOHJWCWMGSRE-UHFFFAOYSA-N
XLogP0.97
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-nitroindazol-6-yl)methanol?
The IUPAC name of (1-methyl-4-nitroindazol-6-yl)methanol (CID 155103114) is (1-methyl-4-nitroindazol-6-yl)methanol.
What is the SMILES notation for (1-methyl-4-nitroindazol-6-yl)methanol?
The canonical SMILES for (1-methyl-4-nitroindazol-6-yl)methanol is Cn1ncc2c([N+](=O)[O-])cc(CO)cc21.
What is the InChIKey of (1-methyl-4-nitroindazol-6-yl)methanol?
The InChIKey is AWWOHJWCWMGSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-11-8-2-6(5-13)3-9(12(14)15)7(8)4-10-11/h2-4,13H,5H2,1H3.
What are the key properties of (1-methyl-4-nitroindazol-6-yl)methanol?
(1-methyl-4-nitroindazol-6-yl)methanol has a molecular weight of 207.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-nitroindazol-6-yl)methanol is sourced from PubChem (CID 155103114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).