2-(4-bromophenoxy)-5-ethynylpyridine

C13H8BrNO — CID 172879466

IUPAC2-(4-bromophenoxy)-5-ethynylpyridine
SMILESC#Cc1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H8BrNO/c1-2-10-3-8-13(15-9-10)16-12-6-4-11(14)5-7-12/h1,3-9H
InChIKeyPBKKEMQOWGRNFP-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.62
Rot. Bonds2

About 2-(4-bromophenoxy)-5-ethynylpyridine

2-(4-bromophenoxy)-5-ethynylpyridine (PubChem CID 172879466) has the molecular formula C13H8BrNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-ethynylpyridine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-ethynylpyridine
PubChem CID172879466
Molecular FormulaC13H8BrNO
Molecular Weight274.12 g/mol
Exact Mass272.98
IUPAC Name2-(4-bromophenoxy)-5-ethynylpyridine
SMILESC#Cc1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H8BrNO/c1-2-10-3-8-13(15-9-10)16-12-6-4-11(14)5-7-12/h1,3-9H
InChIKeyPBKKEMQOWGRNFP-UHFFFAOYSA-N
XLogP3.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenoxy)-5-ethynylpyridine
CID 172879471
5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
CID 172879468
4-[(5-bromo-2-pyridinyl)oxy]phenol
CID 12940619
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
CID 49393966
5-bromo-2-[4-(1-methylcyclopropyl)phenoxy]pyridine
CID 168963771
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
6-(4-bromophenoxy)-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 86849751
1-bromo-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 59747509
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-ethynylpyridine?
The IUPAC name of 2-(4-bromophenoxy)-5-ethynylpyridine (CID 172879466) is 2-(4-bromophenoxy)-5-ethynylpyridine.
What is the SMILES notation for 2-(4-bromophenoxy)-5-ethynylpyridine?
The canonical SMILES for 2-(4-bromophenoxy)-5-ethynylpyridine is C#Cc1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenoxy)-5-ethynylpyridine?
The InChIKey is PBKKEMQOWGRNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO/c1-2-10-3-8-13(15-9-10)16-12-6-4-11(14)5-7-12/h1,3-9H.
What are the key properties of 2-(4-bromophenoxy)-5-ethynylpyridine?
2-(4-bromophenoxy)-5-ethynylpyridine has a molecular weight of 274.12 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-ethynylpyridine is sourced from PubChem (CID 172879466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).