5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine

C13H10ClF2NO — CID 58626689

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine
SMILESCOc1cc(Cc2cccc(Cl)c2F)cnc1F
InChIInChI=1S/C13H10ClF2NO/c1-18-11-6-8(7-17-13(11)16)5-9-3-2-4-10(14)12(9)15/h2-4,6-7H,5H2,1H3
InChIKeyJBLBTBDZAUADRZ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.61
Rot. Bonds3

About 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine

5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine (PubChem CID 58626689) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine
PubChem CID58626689
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine
SMILESCOc1cc(Cc2cccc(Cl)c2F)cnc1F
InChIInChI=1S/C13H10ClF2NO/c1-18-11-6-8(7-17-13(11)16)5-9-3-2-4-10(14)12(9)15/h2-4,6-7H,5H2,1H3
InChIKeyJBLBTBDZAUADRZ-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine (CID 58626689) is 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine is COc1cc(Cc2cccc(Cl)c2F)cnc1F.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine?
The InChIKey is JBLBTBDZAUADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-18-11-6-8(7-17-13(11)16)5-9-3-2-4-10(14)12(9)15/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine?
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine has a molecular weight of 269.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine is sourced from PubChem (CID 58626689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).