5-chloro-3-ethynyl-2-methoxypyridine

C8H6ClNO — CID 74890929

IUPAC5-chloro-3-ethynyl-2-methoxypyridine
SMILESC#Cc1cc(Cl)cnc1OC
InChIInChI=1S/C8H6ClNO/c1-3-6-4-7(9)5-10-8(6)11-2/h1,4-5H,2H3
InChIKeyPZCDXYNBRMAZGE-UHFFFAOYSA-N
MW167.59 g/mol
LogP1.72
Rot. Bonds1

About 5-chloro-3-ethynyl-2-methoxypyridine

5-chloro-3-ethynyl-2-methoxypyridine (PubChem CID 74890929) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 5-chloro-3-ethynyl-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-3-ethynyl-2-methoxypyridine
PubChem CID74890929
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name5-chloro-3-ethynyl-2-methoxypyridine
SMILESC#Cc1cc(Cl)cnc1OC
InChIInChI=1S/C8H6ClNO/c1-3-6-4-7(9)5-10-8(6)11-2/h1,4-5H,2H3
InChIKeyPZCDXYNBRMAZGE-UHFFFAOYSA-N
XLogP1.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.72
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 5-chloro-3-ethynyl-2-methoxypyridine?
The IUPAC name of 5-chloro-3-ethynyl-2-methoxypyridine (CID 74890929) is 5-chloro-3-ethynyl-2-methoxypyridine.
What is the SMILES notation for 5-chloro-3-ethynyl-2-methoxypyridine?
The canonical SMILES for 5-chloro-3-ethynyl-2-methoxypyridine is C#Cc1cc(Cl)cnc1OC.
What is the InChIKey of 5-chloro-3-ethynyl-2-methoxypyridine?
The InChIKey is PZCDXYNBRMAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-3-6-4-7(9)5-10-8(6)11-2/h1,4-5H,2H3.
What are the key properties of 5-chloro-3-ethynyl-2-methoxypyridine?
5-chloro-3-ethynyl-2-methoxypyridine has a molecular weight of 167.59 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethynyl-2-methoxypyridine is sourced from PubChem (CID 74890929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).