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

C15H11ClFNO — CID 60801715

IUPAC4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
SMILESFc1ccc(OCc2ccncc2)c(C#CCCl)c1
InChIInChI=1S/C15H11ClFNO/c16-7-1-2-13-10-14(17)3-4-15(13)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11H2
InChIKeyDVLZCVRHKCQXSJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.39
Rot. Bonds3

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

4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine (PubChem CID 60801715) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
PubChem CID60801715
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
SMILESFc1ccc(OCc2ccncc2)c(C#CCCl)c1
InChIInChI=1S/C15H11ClFNO/c16-7-1-2-13-10-14(17)3-4-15(13)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11H2
InChIKeyDVLZCVRHKCQXSJ-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-(3-chloroprop-1-ynyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 60802239
3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 60801675
3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
2-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyrimidine
CID 62699587
2-(3-chloroprop-1-ynyl)-4-fluoro-1-[(2-fluorophenyl)methoxy]benzene
CID 60801386
4-[[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]methyl]pyridine
CID 114675436
2-(3-chloroprop-1-ynyl)-4-fluoro-1-(2-methoxyethoxy)benzene
CID 60801214
1-chloro-2-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]-3-fluorobenzene
CID 63418212
2-(3-chloroprop-1-ynyl)-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 60799542
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
CID 60891129

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine (CID 60801715) is 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine is Fc1ccc(OCc2ccncc2)c(C#CCCl)c1.
What is the InChIKey of 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine?
The InChIKey is DVLZCVRHKCQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-7-1-2-13-10-14(17)3-4-15(13)19-11-12-5-8-18-9-6-12/h3-6,8-10H,7,11H2.
What are the key properties of 4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine?
4-[[2-(3-chloroprop-1-ynyl)-4-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-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine is sourced from PubChem (CID 60801715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).