5-chloro-2-ethynyl-4-methylpyridine

C8H6ClN — CID 74888663

IUPAC5-chloro-2-ethynyl-4-methylpyridine
SMILESC#Cc1cc(C)c(Cl)cn1
InChIInChI=1S/C8H6ClN/c1-3-7-4-6(2)8(9)5-10-7/h1,4-5H,2H3
InChIKeyOWNLFACJBHNLGZ-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.02
Rot. Bonds

About 5-chloro-2-ethynyl-4-methylpyridine

5-chloro-2-ethynyl-4-methylpyridine (PubChem CID 74888663) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 5-chloro-2-ethynyl-4-methylpyridine.

Molecular Properties

Compound Name5-chloro-2-ethynyl-4-methylpyridine
PubChem CID74888663
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name5-chloro-2-ethynyl-4-methylpyridine
SMILESC#Cc1cc(C)c(Cl)cn1
InChIInChI=1S/C8H6ClN/c1-3-7-4-6(2)8(9)5-10-7/h1,4-5H,2H3
InChIKeyOWNLFACJBHNLGZ-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-ethynyl-4-methylpyridine?
The IUPAC name of 5-chloro-2-ethynyl-4-methylpyridine (CID 74888663) is 5-chloro-2-ethynyl-4-methylpyridine.
What is the SMILES notation for 5-chloro-2-ethynyl-4-methylpyridine?
The canonical SMILES for 5-chloro-2-ethynyl-4-methylpyridine is C#Cc1cc(C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-ethynyl-4-methylpyridine?
The InChIKey is OWNLFACJBHNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c1-3-7-4-6(2)8(9)5-10-7/h1,4-5H,2H3.
What are the key properties of 5-chloro-2-ethynyl-4-methylpyridine?
5-chloro-2-ethynyl-4-methylpyridine has a molecular weight of 151.60 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethynyl-4-methylpyridine is sourced from PubChem (CID 74888663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).