6-(3-fluoropropoxy)pyridine-3-carbaldehyde

C9H10FNO2 — CID 129091689

IUPAC6-(3-fluoropropoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCCF)nc1
InChIInChI=1S/C9H10FNO2/c10-4-1-5-13-9-3-2-8(7-12)6-11-9/h2-3,6-7H,1,4-5H2
InChIKeyWVSPCILXJHJCEQ-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.63
Rot. Bonds5

About 6-(3-fluoropropoxy)pyridine-3-carbaldehyde

6-(3-fluoropropoxy)pyridine-3-carbaldehyde (PubChem CID 129091689) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 6-(3-fluoropropoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluoropropoxy)pyridine-3-carbaldehyde
PubChem CID129091689
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name6-(3-fluoropropoxy)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCCCF)nc1
InChIInChI=1S/C9H10FNO2/c10-4-1-5-13-9-3-2-8(7-12)6-11-9/h2-3,6-7H,1,4-5H2
InChIKeyWVSPCILXJHJCEQ-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-fluoropropoxy)pyridine-3-carbaldehyde (CID 129091689) is 6-(3-fluoropropoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-fluoropropoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-fluoropropoxy)pyridine-3-carbaldehyde is O=Cc1ccc(OCCCF)nc1.
What is the InChIKey of 6-(3-fluoropropoxy)pyridine-3-carbaldehyde?
The InChIKey is WVSPCILXJHJCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-4-1-5-13-9-3-2-8(7-12)6-11-9/h2-3,6-7H,1,4-5H2.
What are the key properties of 6-(3-fluoropropoxy)pyridine-3-carbaldehyde?
6-(3-fluoropropoxy)pyridine-3-carbaldehyde has a molecular weight of 183.18 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 129091689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).