4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine

C15H11ClFNO — CID 114675436

IUPAC4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine
SMILESFc1ccc(C#CCCl)cc1OCc1ccncc1
InChIInChI=1S/C15H11ClFNO/c16-7-1-2-12-3-4-14(17)15(10-12)19-11-13-5-8-18-9-6-13/h3-6,8-10H,7,11H2
InChIKeyMSVLOCLPYQVQNG-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.39
Rot. Bonds3

About 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine

4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine (PubChem CID 114675436) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine
PubChem CID114675436
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine
SMILESFc1ccc(C#CCCl)cc1OCc1ccncc1
InChIInChI=1S/C15H11ClFNO/c16-7-1-2-12-3-4-14(17)15(10-12)19-11-13-5-8-18-9-6-13/h3-6,8-10H,7,11H2
InChIKeyMSVLOCLPYQVQNG-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]-1,3-difluorobenzene
CID 114932808
4-(4-chlorobut-1-ynyl)-1-fluoro-2-phenylmethoxybenzene
CID 114675605
4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 60801715
3-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]pyridine
CID 114675498
4-(3-chloroprop-1-ynyl)-2-(ethoxymethoxy)-1-fluorobenzene
CID 114675452
4-(3-chloroprop-1-ynyl)-1-fluoro-2-propan-2-yloxybenzene
CID 114675396
5-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]-1-methylpyrazole
CID 103012928
4-[3-[(3-chlorophenyl)methoxy]-4-fluorophenyl]but-3-yn-1-ol
CID 114675375
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]bicyclo[2.2.1]heptane
CID 114675522
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
3-[3-[(2-chlorophenyl)methoxy]-4-fluorophenyl]prop-2-yn-1-amine
CID 114675739

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine?
The IUPAC name of 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine (CID 114675436) is 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine?
The canonical SMILES for 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine is Fc1ccc(C#CCCl)cc1OCc1ccncc1.
What is the InChIKey of 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine?
The InChIKey is MSVLOCLPYQVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-7-1-2-12-3-4-14(17)15(10-12)19-11-13-5-8-18-9-6-13/h3-6,8-10H,7,11H2.
What are the key properties of 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine?
4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine has a molecular weight of 275.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine is sourced from PubChem (CID 114675436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).