2-(4-hydroxyindazol-1-yl)pentanal

C12H14N2O2 — CID 174538783

IUPAC2-(4-hydroxyindazol-1-yl)pentanal
SMILESCCCC(C=O)n1ncc2c(O)cccc21
InChIInChI=1S/C12H14N2O2/c1-2-4-9(8-15)14-11-5-3-6-12(16)10(11)7-13-14/h3,5-9,16H,2,4H2,1H3
InChIKeyQBTMFOWVOIMMGM-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-hydroxyindazol-1-yl)pentanal

2-(4-hydroxyindazol-1-yl)pentanal (PubChem CID 174538783) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-hydroxyindazol-1-yl)pentanal.

Molecular Properties

Compound Name2-(4-hydroxyindazol-1-yl)pentanal
PubChem CID174538783
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4-hydroxyindazol-1-yl)pentanal
SMILESCCCC(C=O)n1ncc2c(O)cccc21
InChIInChI=1S/C12H14N2O2/c1-2-4-9(8-15)14-11-5-3-6-12(16)10(11)7-13-14/h3,5-9,16H,2,4H2,1H3
InChIKeyQBTMFOWVOIMMGM-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyindazol-1-yl)pentanal?
The IUPAC name of 2-(4-hydroxyindazol-1-yl)pentanal (CID 174538783) is 2-(4-hydroxyindazol-1-yl)pentanal.
What is the SMILES notation for 2-(4-hydroxyindazol-1-yl)pentanal?
The canonical SMILES for 2-(4-hydroxyindazol-1-yl)pentanal is CCCC(C=O)n1ncc2c(O)cccc21.
What is the InChIKey of 2-(4-hydroxyindazol-1-yl)pentanal?
The InChIKey is QBTMFOWVOIMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-4-9(8-15)14-11-5-3-6-12(16)10(11)7-13-14/h3,5-9,16H,2,4H2,1H3.
What are the key properties of 2-(4-hydroxyindazol-1-yl)pentanal?
2-(4-hydroxyindazol-1-yl)pentanal has a molecular weight of 218.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyindazol-1-yl)pentanal is sourced from PubChem (CID 174538783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).