2-chloro-5-fluoro-4-methoxypyridine

C6H5ClFNO — CID 75355412

IUPAC2-chloro-5-fluoro-4-methoxypyridine
SMILESCOc1cc(Cl)ncc1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3
InChIKeyOYQMZELAVIVTOM-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.88
Rot. Bonds1

About 2-chloro-5-fluoro-4-methoxypyridine

2-chloro-5-fluoro-4-methoxypyridine (PubChem CID 75355412) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methoxypyridine
PubChem CID75355412
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name2-chloro-5-fluoro-4-methoxypyridine
SMILESCOc1cc(Cl)ncc1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3
InChIKeyOYQMZELAVIVTOM-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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Related Compounds

4-Methoxypyridine N-oxide
CID 70743
3-Iodo-4-methoxypyridine
CID 902131
4-Methoxypyridine
CID 69278
2-Chloro-4-methoxypyridine
CID 1991128
5-Chloro-2-methoxypyridine
CID 4738276
2,6-Dichloro-4-methoxypyridine
CID 3319993
4-Chloro-2-methoxypyridine
CID 22638510
4-Ethoxypyridine
CID 141781
2-Chloro-3-cyano-4-methoxypyridine
CID 1470930
3-Bromo-2-chloro-4-methoxypyridine
CID 10421125
2-Fluoro-4-methoxypyridine
CID 21464361
Pyridinium, 4-methoxy-1-methyl-
CID 181751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methoxypyridine?
The IUPAC name of 2-chloro-5-fluoro-4-methoxypyridine (CID 75355412) is 2-chloro-5-fluoro-4-methoxypyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-methoxypyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-methoxypyridine is COc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methoxypyridine?
The InChIKey is OYQMZELAVIVTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-methoxypyridine?
2-chloro-5-fluoro-4-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 2-chloro-5-fluoro-4-methoxypyridine is sourced from PubChem (CID 75355412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).