6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde

C12H11FN2O2 — CID 143973758

IUPAC6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCC2=CN=C(F)CC2)nc1
InChIInChI=1S/C12H11FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h2,4-7H,1,3,8H2
InChIKeyMFBXSJARIMMKOG-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.32
Rot. Bonds4

About 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde

6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde (PubChem CID 143973758) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde
PubChem CID143973758
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCC2=CN=C(F)CC2)nc1
InChIInChI=1S/C12H11FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h2,4-7H,1,3,8H2
InChIKeyMFBXSJARIMMKOG-UHFFFAOYSA-N
XLogP2.32
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
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 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde (CID 143973758) is 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCC2=CN=C(F)CC2)nc1.
What is the InChIKey of 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is MFBXSJARIMMKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-11-3-1-10(6-14-11)8-17-12-4-2-9(7-16)5-15-12/h2,4-7H,1,3,8H2.
What are the key properties of 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde?
6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 234.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-3,4-dihydropyridin-5-yl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 143973758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).