4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine

C16H14ClNO — CID 60891129

IUPAC4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
SMILESClCC#Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H14ClNO/c17-10-3-5-15-4-1-2-6-16(15)19-13-9-14-7-11-18-12-8-14/h1-2,4,6-8,11-12H,9-10,13H2
InChIKeyHHLRKXRCENHOHS-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.29
Rot. Bonds4

About 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine

4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine (PubChem CID 60891129) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
PubChem CID60891129
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
SMILESClCC#Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H14ClNO/c17-10-3-5-15-4-1-2-6-16(15)19-13-9-14-7-11-18-12-8-14/h1-2,4,6-8,11-12H,9-10,13H2
InChIKeyHHLRKXRCENHOHS-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.29
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

3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60890550
5-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]-1-methylpyrazole
CID 103012848
3-[2-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridine
CID 63262801
2-(3-chloroprop-1-ynyl)-4-methyl-1-(2-phenylethoxy)benzene
CID 60801493
1-(3-chloroprop-1-ynyl)-2-(3,3-dimethylbutoxy)benzene
CID 54958041
1-(3-chloroprop-1-ynyl)-2-(2-methylsulfonylethoxy)benzene
CID 54914523
4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 60801715
1-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]piperidine
CID 60801318
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
2-[[2-(3-chloroprop-1-ynyl)phenoxy]methyl]-1,3-difluorobenzene
CID 114932781
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine?
The IUPAC name of 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine (CID 60891129) is 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine.
What is the SMILES notation for 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine?
The canonical SMILES for 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine is ClCC#Cc1ccccc1OCCc1ccncc1.
What is the InChIKey of 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine?
The InChIKey is HHLRKXRCENHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-10-3-5-15-4-1-2-6-16(15)19-13-9-14-7-11-18-12-8-14/h1-2,4,6-8,11-12H,9-10,13H2.
What are the key properties of 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine?
4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine has a molecular weight of 271.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine is sourced from PubChem (CID 60891129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).