2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde

C13H10F2N2O2 — CID 123312619

IUPAC2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde
SMILESCOc1ncc(Cc2ccc(C=O)c(F)n2)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-13-11(14)5-8(6-16-13)4-10-3-2-9(7-18)12(15)17-10/h2-3,5-7H,4H2,1H3
InChIKeyQKXNVYXHANHXKE-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.17
Rot. Bonds4

About 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde

2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde (PubChem CID 123312619) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde
PubChem CID123312619
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde
SMILESCOc1ncc(Cc2ccc(C=O)c(F)n2)cc1F
InChIInChI=1S/C13H10F2N2O2/c1-19-13-11(14)5-8(6-16-13)4-10-3-2-9(7-18)12(15)17-10/h2-3,5-7H,4H2,1H3
InChIKeyQKXNVYXHANHXKE-UHFFFAOYSA-N
XLogP2.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.17
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-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde (CID 123312619) is 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde is COc1ncc(Cc2ccc(C=O)c(F)n2)cc1F.
What is the InChIKey of 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde?
The InChIKey is QKXNVYXHANHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-19-13-11(14)5-8(6-16-13)4-10-3-2-9(7-18)12(15)17-10/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde?
2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde has a molecular weight of 264.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 123312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).