5-chloro-2-fluoro-3-methoxypyridine

C6H5ClFNO — CID 74891131

IUPAC5-chloro-2-fluoro-3-methoxypyridine
SMILESCOc1cc(Cl)cnc1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyIFIHQDCDSBTEJF-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.88
Rot. Bonds1

About 5-chloro-2-fluoro-3-methoxypyridine

5-chloro-2-fluoro-3-methoxypyridine (PubChem CID 74891131) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-methoxypyridine
PubChem CID74891131
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name5-chloro-2-fluoro-3-methoxypyridine
SMILESCOc1cc(Cl)cnc1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKeyIFIHQDCDSBTEJF-UHFFFAOYSA-N
XLogP1.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.88
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-chloro-2-fluoro-3-methoxypyridine?
The IUPAC name of 5-chloro-2-fluoro-3-methoxypyridine (CID 74891131) is 5-chloro-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 5-chloro-2-fluoro-3-methoxypyridine?
The canonical SMILES for 5-chloro-2-fluoro-3-methoxypyridine is COc1cc(Cl)cnc1F.
What is the InChIKey of 5-chloro-2-fluoro-3-methoxypyridine?
The InChIKey is IFIHQDCDSBTEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3.
What are the key properties of 5-chloro-2-fluoro-3-methoxypyridine?
5-chloro-2-fluoro-3-methoxypyridine has a molecular weight of 161.56 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-methoxypyridine is sourced from PubChem (CID 74891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).