2-propan-2-ylindazole-6-carbaldehyde

C11H12N2O — CID 84719145

IUPAC2-propan-2-ylindazole-6-carbaldehyde
SMILESCC(C)n1cc2ccc(C=O)cc2n1
InChIInChI=1S/C11H12N2O/c1-8(2)13-6-10-4-3-9(7-14)5-11(10)12-13/h3-8H,1-2H3
InChIKeyYUPLRYKIVFVFHD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds2

About 2-propan-2-ylindazole-6-carbaldehyde

2-propan-2-ylindazole-6-carbaldehyde (PubChem CID 84719145) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-ylindazole-6-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylindazole-6-carbaldehyde
PubChem CID84719145
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-propan-2-ylindazole-6-carbaldehyde
SMILESCC(C)n1cc2ccc(C=O)cc2n1
InChIInChI=1S/C11H12N2O/c1-8(2)13-6-10-4-3-9(7-14)5-11(10)12-13/h3-8H,1-2H3
InChIKeyYUPLRYKIVFVFHD-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-propan-2-ylindazole
CID 84720409
6-(2-methylpropyl)-2-propan-2-ylindazole
CID 155051024
2-(4-methylphenyl)indazole-6-carbaldehyde
CID 134163737
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
6-methyl-2-propan-2-ylpyrazolo[4,3-c]pyridine
CID 171089700
2-propan-2-ylindazole-5-carbonitrile
CID 84718934
naphthalene-2,6-dicarbaldehyde
CID 159038637
2-methyl-1-propan-2-ylindole-6-carbaldehyde
CID 117204814
5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 167914001
2-ethylindazole-5-carbaldehyde
CID 84717515
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylindazole-6-carbaldehyde?
The IUPAC name of 2-propan-2-ylindazole-6-carbaldehyde (CID 84719145) is 2-propan-2-ylindazole-6-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylindazole-6-carbaldehyde?
The canonical SMILES for 2-propan-2-ylindazole-6-carbaldehyde is CC(C)n1cc2ccc(C=O)cc2n1.
What is the InChIKey of 2-propan-2-ylindazole-6-carbaldehyde?
The InChIKey is YUPLRYKIVFVFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)13-6-10-4-3-9(7-14)5-11(10)12-13/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylindazole-6-carbaldehyde?
2-propan-2-ylindazole-6-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylindazole-6-carbaldehyde is sourced from PubChem (CID 84719145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).