2-but-3-ynyl-4-chloropyridine

C9H8ClN — CID 146175569

IUPAC2-but-3-ynyl-4-chloropyridine
SMILESC#CCCc1cc(Cl)ccn1
InChIInChI=1S/C9H8ClN/c1-2-3-4-9-7-8(10)5-6-11-9/h1,5-7H,3-4H2
InChIKeyIWIHRFDTHLLKES-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.30
Rot. Bonds2

About 2-but-3-ynyl-4-chloropyridine

2-but-3-ynyl-4-chloropyridine (PubChem CID 146175569) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-but-3-ynyl-4-chloropyridine.

Molecular Properties

Compound Name2-but-3-ynyl-4-chloropyridine
PubChem CID146175569
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name2-but-3-ynyl-4-chloropyridine
SMILESC#CCCc1cc(Cl)ccn1
InChIInChI=1S/C9H8ClN/c1-2-3-4-9-7-8(10)5-6-11-9/h1,5-7H,3-4H2
InChIKeyIWIHRFDTHLLKES-UHFFFAOYSA-N
XLogP2.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propylpyridine
CID 69320
Picolyl chloride hydrochloride
CID 23392
2-Pentylpyridine
CID 16800
2-Chloropyridine
CID 7977
2-Ethylpyridine
CID 7523
2-Butylpyridine
CID 78750
3-Chloropyridine
CID 12287
2-Hexylpyridine
CID 70797
4-Chloropyridine
CID 12288
4-Chloropyridine hydrochloride
CID 81852
4'-Chloro-2,2':6',2''-terpyridine
CID 667748
2-Chloro-1-methylpyridinium iodide
CID 167069

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-4-chloropyridine?
The IUPAC name of 2-but-3-ynyl-4-chloropyridine (CID 146175569) is 2-but-3-ynyl-4-chloropyridine.
What is the SMILES notation for 2-but-3-ynyl-4-chloropyridine?
The canonical SMILES for 2-but-3-ynyl-4-chloropyridine is C#CCCc1cc(Cl)ccn1.
What is the InChIKey of 2-but-3-ynyl-4-chloropyridine?
The InChIKey is IWIHRFDTHLLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-2-3-4-9-7-8(10)5-6-11-9/h1,5-7H,3-4H2.
What are the key properties of 2-but-3-ynyl-4-chloropyridine?
2-but-3-ynyl-4-chloropyridine has a molecular weight of 165.62 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-4-chloropyridine is sourced from PubChem (CID 146175569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).