2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride

C15H13ClFNO3 — CID 139638456

IUPAC2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
SMILESCc1cc(F)cnc1Oc1ccc(OC(C)C(=O)Cl)cc1
InChIInChI=1S/C15H13ClFNO3/c1-9-7-11(17)8-18-15(9)21-13-5-3-12(4-6-13)20-10(2)14(16)19/h3-8,10H,1-2H3
InChIKeyJQJGLKANXBXCSC-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride

2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride (PubChem CID 139638456) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride.

Molecular Properties

Compound Name2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
PubChem CID139638456
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
SMILESCc1cc(F)cnc1Oc1ccc(OC(C)C(=O)Cl)cc1
InChIInChI=1S/C15H13ClFNO3/c1-9-7-11(17)8-18-15(9)21-13-5-3-12(4-6-13)20-10(2)14(16)19/h3-8,10H,1-2H3
InChIKeyJQJGLKANXBXCSC-UHFFFAOYSA-N
XLogP3.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
CID 67929203
CID 67929203
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
CID 142991814
5-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]-3-oxo-2-(trifluoromethyl)pentanenitrile
CID 19743510
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride?
The IUPAC name of 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride (CID 139638456) is 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride.
What is the SMILES notation for 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride?
The canonical SMILES for 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride is Cc1cc(F)cnc1Oc1ccc(OC(C)C(=O)Cl)cc1.
What is the InChIKey of 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride?
The InChIKey is JQJGLKANXBXCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-9-7-11(17)8-18-15(9)21-13-5-3-12(4-6-13)20-10(2)14(16)19/h3-8,10H,1-2H3.
What are the key properties of 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride?
2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride has a molecular weight of 309.72 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride is sourced from PubChem (CID 139638456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).