acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane

C23H33FN2O — CID 145230932

IUPACacetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane
SMILESCC=O.CCC.CCCCC.Fc1ccccc1-c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H9FN2.C5H12.C3H8.C2H4O/c14-11-4-2-1-3-10(11)9-7-13-12(16-8-9)5-6-15-13;1-3-5-4-2;1-3-2;1-2-3/h1-8,15H;3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUBPDOJXDLYTAFQ-UHFFFAOYSA-N
MW372.53 g/mol
LogP7.19
Rot. Bonds3

About acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane

acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane (PubChem CID 145230932) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane.

Molecular Properties

Compound Nameacetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane
PubChem CID145230932
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Nameacetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane
SMILESCC=O.CCC.CCCCC.Fc1ccccc1-c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H9FN2.C5H12.C3H8.C2H4O/c14-11-4-2-1-3-10(11)9-7-13-12(16-8-9)5-6-15-13;1-3-5-4-2;1-3-2;1-2-3/h1-8,15H;3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUBPDOJXDLYTAFQ-UHFFFAOYSA-N
XLogP7.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane?
The IUPAC name of acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane (CID 145230932) is acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane.
What is the SMILES notation for acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane?
The canonical SMILES for acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane is CC=O.CCC.CCCCC.Fc1ccccc1-c1cnc2cc[nH]c2c1.
What is the InChIKey of acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane?
The InChIKey is UBPDOJXDLYTAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2.C5H12.C3H8.C2H4O/c14-11-4-2-1-3-10(11)9-7-13-12(16-8-9)5-6-15-13;1-3-5-4-2;1-3-2;1-2-3/h1-8,15H;3-5H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane?
acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane has a molecular weight of 372.53 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;6-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine;pentane;propane is sourced from PubChem (CID 145230932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).