(2,3-dimethylindazol-7-yl) acetate

C11H12N2O2 — CID 176566350

IUPAC(2,3-dimethylindazol-7-yl) acetate
SMILESCC(=O)Oc1cccc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O2/c1-7-9-5-4-6-10(15-8(2)14)11(9)12-13(7)3/h4-6H,1-3H3
InChIKeyPJGIKDRWANLFJM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds1

About (2,3-dimethylindazol-7-yl) acetate

(2,3-dimethylindazol-7-yl) acetate (PubChem CID 176566350) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2,3-dimethylindazol-7-yl) acetate.

Molecular Properties

Compound Name(2,3-dimethylindazol-7-yl) acetate
PubChem CID176566350
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2,3-dimethylindazol-7-yl) acetate
SMILESCC(=O)Oc1cccc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O2/c1-7-9-5-4-6-10(15-8(2)14)11(9)12-13(7)3/h4-6H,1-3H3
InChIKeyPJGIKDRWANLFJM-UHFFFAOYSA-N
XLogP1.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylindazole-7-carbaldehyde
CID 84717517
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(9-acetyloxyphenazin-1-yl) acetate
CID 611384
(4-chloroquinolin-8-yl) acetate
CID 175576508
triphenylen-1-yl acetate
CID 87276472
(6-methylphenazin-1-yl) acetate
CID 610919
3-acetyloxy-2-methylbenzoic acid
CID 3798557
7-methoxy-2,3-dimethylindazole-6-carboxylic acid
CID 117110319
(2-propan-2-ylquinolin-8-yl) acetate
CID 134285695
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylindazol-7-yl) acetate?
The IUPAC name of (2,3-dimethylindazol-7-yl) acetate (CID 176566350) is (2,3-dimethylindazol-7-yl) acetate.
What is the SMILES notation for (2,3-dimethylindazol-7-yl) acetate?
The canonical SMILES for (2,3-dimethylindazol-7-yl) acetate is CC(=O)Oc1cccc2c(C)n(C)nc12.
What is the InChIKey of (2,3-dimethylindazol-7-yl) acetate?
The InChIKey is PJGIKDRWANLFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-9-5-4-6-10(15-8(2)14)11(9)12-13(7)3/h4-6H,1-3H3.
What are the key properties of (2,3-dimethylindazol-7-yl) acetate?
(2,3-dimethylindazol-7-yl) acetate has a molecular weight of 204.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylindazol-7-yl) acetate is sourced from PubChem (CID 176566350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).