6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde

C12H9FN2O2 — CID 58443281

IUPAC6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)nc2)nc1
InChIInChI=1S/C12H9FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h1-7H,8H2
InChIKeyRGHUHGYZAGCPEV-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.01
Rot. Bonds4

About 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde

6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 58443281) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde
PubChem CID58443281
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(F)nc2)nc1
InChIInChI=1S/C12H9FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h1-7H,8H2
InChIKeyRGHUHGYZAGCPEV-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde (CID 58443281) is 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2ccc(F)nc2)nc1.
What is the InChIKey of 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is RGHUHGYZAGCPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h1-7H,8H2.
What are the key properties of 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde?
6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 232.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-3-pyridinyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 58443281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).