2-chloro-6-propan-2-ylpyridine

C8H10ClN — CID 14570981

IUPAC2-chloro-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(Cl)n1
InChIInChI=1S/C8H10ClN/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3
InChIKeyFISXDNFVHBWJLD-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-6-propan-2-ylpyridine

2-chloro-6-propan-2-ylpyridine (PubChem CID 14570981) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylpyridine
PubChem CID14570981
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(Cl)n1
InChIInChI=1S/C8H10ClN/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3
InChIKeyFISXDNFVHBWJLD-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylpyridine?
The IUPAC name of 2-chloro-6-propan-2-ylpyridine (CID 14570981) is 2-chloro-6-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-6-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-6-propan-2-ylpyridine is CC(C)c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-propan-2-ylpyridine?
The InChIKey is FISXDNFVHBWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-propan-2-ylpyridine?
2-chloro-6-propan-2-ylpyridine has a molecular weight of 155.63 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylpyridine is sourced from PubChem (CID 14570981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).