2-(1-chloroprop-2-ynyl)pyridine

C8H6ClN — CID 146397078

IUPAC2-(1-chloroprop-2-ynyl)pyridine
SMILESC#CC(Cl)c1ccccn1
InChIInChI=1S/C8H6ClN/c1-2-7(9)8-5-3-4-6-10-8/h1,3-7H
InChIKeyBXQJYKXOQITKER-UHFFFAOYSA-N
MW151.60 g/mol
LogP1.99
Rot. Bonds1

About 2-(1-chloroprop-2-ynyl)pyridine

2-(1-chloroprop-2-ynyl)pyridine (PubChem CID 146397078) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 2-(1-chloroprop-2-ynyl)pyridine.

Molecular Properties

Compound Name2-(1-chloroprop-2-ynyl)pyridine
PubChem CID146397078
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name2-(1-chloroprop-2-ynyl)pyridine
SMILESC#CC(Cl)c1ccccn1
InChIInChI=1S/C8H6ClN/c1-2-7(9)8-5-3-4-6-10-8/h1,3-7H
InChIKeyBXQJYKXOQITKER-UHFFFAOYSA-N
XLogP1.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
chloro(pyridin-2-yl)methanamine
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2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
2,2-dipyridin-2-ylacetonitrile
CID 14006057
2-(1-bromo-3-pyridin-2-ylprop-2-ynyl)pyridine;hydrobromide
CID 67780946
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroprop-2-ynyl)pyridine?
The IUPAC name of 2-(1-chloroprop-2-ynyl)pyridine (CID 146397078) is 2-(1-chloroprop-2-ynyl)pyridine.
What is the SMILES notation for 2-(1-chloroprop-2-ynyl)pyridine?
The canonical SMILES for 2-(1-chloroprop-2-ynyl)pyridine is C#CC(Cl)c1ccccn1.
What is the InChIKey of 2-(1-chloroprop-2-ynyl)pyridine?
The InChIKey is BXQJYKXOQITKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c1-2-7(9)8-5-3-4-6-10-8/h1,3-7H.
What are the key properties of 2-(1-chloroprop-2-ynyl)pyridine?
2-(1-chloroprop-2-ynyl)pyridine has a molecular weight of 151.60 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-ynyl)pyridine is sourced from PubChem (CID 146397078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).