2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine

C15H8ClN — CID 10857502

IUPAC2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine
SMILESC#Cc1ccccc1C#Cc1ccc(Cl)nc1
InChIInChI=1S/C15H8ClN/c1-2-13-5-3-4-6-14(13)9-7-12-8-10-15(16)17-11-12/h1,3-6,8,10-11H
InChIKeyOFJMCTQYEGNOBX-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.12
Rot. Bonds

About 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine

2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine (PubChem CID 10857502) has the molecular formula C15H8ClN and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine
PubChem CID10857502
Molecular FormulaC15H8ClN
Molecular Weight237.69 g/mol
Exact Mass237.03
IUPAC Name2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine
SMILESC#Cc1ccccc1C#Cc1ccc(Cl)nc1
InChIInChI=1S/C15H8ClN/c1-2-13-5-3-4-6-14(13)9-7-12-8-10-15(16)17-11-12/h1,3-6,8,10-11H
InChIKeyOFJMCTQYEGNOBX-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
CID 56958698
1,2,4-triethynyl-5-[2-(2-ethynylphenyl)ethynyl]benzene
CID 12023743
1-[2-(2-ethynylphenyl)ethynyl]-3,5-dimethylbenzene
CID 11138964
2-chloro-5-[2-(4-pentoxyphenyl)ethynyl]pyridine
CID 19765873
1-ethynyl-2-(3-phenylprop-1-ynyl)benzene
CID 132546495
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
1-ethynyl-2-(4-phenylbut-1-ynyl)benzene
CID 71600475
N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
CID 58483730
2-ethynylbenzonitrile
CID 11116074
6-chloro-N-phenylpyridin-3-amine
CID 175055218
1-chloro-3-ethynyl-2-phenylbenzene
CID 175239216
6-chloro-4-ethynylpyridin-3-ol
CID 74892589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine?
The IUPAC name of 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine (CID 10857502) is 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine.
What is the SMILES notation for 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine?
The canonical SMILES for 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine is C#Cc1ccccc1C#Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine?
The InChIKey is OFJMCTQYEGNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN/c1-2-13-5-3-4-6-14(13)9-7-12-8-10-15(16)17-11-12/h1,3-6,8,10-11H.
What are the key properties of 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine?
2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine has a molecular weight of 237.69 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine is sourced from PubChem (CID 10857502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).