3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine

C14H10ClNO — CID 67047870

IUPAC3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
SMILESCOc1cccc(C#Cc2cncc(Cl)c2)c1
InChIInChI=1S/C14H10ClNO/c1-17-14-4-2-3-11(8-14)5-6-12-7-13(15)10-16-9-12/h2-4,7-10H,1H3
InChIKeyZRWCQGYCJLEKPB-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.14
Rot. Bonds1

About 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine

3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine (PubChem CID 67047870) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
PubChem CID67047870
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
SMILESCOc1cccc(C#Cc2cncc(Cl)c2)c1
InChIInChI=1S/C14H10ClNO/c1-17-14-4-2-3-11(8-14)5-6-12-7-13(15)10-16-9-12/h2-4,7-10H,1H3
InChIKeyZRWCQGYCJLEKPB-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine?
The IUPAC name of 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine (CID 67047870) is 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine.
What is the SMILES notation for 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine?
The canonical SMILES for 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine is COc1cccc(C#Cc2cncc(Cl)c2)c1.
What is the InChIKey of 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine?
The InChIKey is ZRWCQGYCJLEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-17-14-4-2-3-11(8-14)5-6-12-7-13(15)10-16-9-12/h2-4,7-10H,1H3.
What are the key properties of 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine?
3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine has a molecular weight of 243.69 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine is sourced from PubChem (CID 67047870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).