2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde

C12H8F2N2O2 — CID 167438470

IUPAC2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccncc2F)nc1F
InChIInChI=1S/C12H8F2N2O2/c13-10-5-15-4-3-9(10)7-18-11-2-1-8(6-17)12(14)16-11/h1-6H,7H2
InChIKeyLJXJSANNSOOWDV-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.15
Rot. Bonds4

About 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde

2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 167438470) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde
PubChem CID167438470
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccncc2F)nc1F
InChIInChI=1S/C12H8F2N2O2/c13-10-5-15-4-3-9(10)7-18-11-2-1-8(6-17)12(14)16-11/h1-6H,7H2
InChIKeyLJXJSANNSOOWDV-UHFFFAOYSA-N
XLogP2.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.15
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 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde (CID 167438470) is 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2ccncc2F)nc1F.
What is the InChIKey of 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is LJXJSANNSOOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-10-5-15-4-3-9(10)7-18-11-2-1-8(6-17)12(14)16-11/h1-6H,7H2.
What are the key properties of 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde?
2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 250.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-fluoro-4-pyridinyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 167438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).