2-chloro-6-methyl-4-propan-2-ylpyridine

C9H12ClN — CID 19867375

IUPAC2-chloro-6-methyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(Cl)n1
InChIInChI=1S/C9H12ClN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6H,1-3H3
InChIKeyAWIUNHGSPIGOHC-UHFFFAOYSA-N
MW169.66 g/mol
LogP3.17
Rot. Bonds1

About 2-chloro-6-methyl-4-propan-2-ylpyridine

2-chloro-6-methyl-4-propan-2-ylpyridine (PubChem CID 19867375) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-propan-2-ylpyridine
PubChem CID19867375
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-chloro-6-methyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cc(Cl)n1
InChIInChI=1S/C9H12ClN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6H,1-3H3
InChIKeyAWIUNHGSPIGOHC-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 53.17
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-methyl-4-propan-2-ylpyridine?
The IUPAC name of 2-chloro-6-methyl-4-propan-2-ylpyridine (CID 19867375) is 2-chloro-6-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-6-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-6-methyl-4-propan-2-ylpyridine is Cc1cc(C(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-4-propan-2-ylpyridine?
The InChIKey is AWIUNHGSPIGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6H,1-3H3.
What are the key properties of 2-chloro-6-methyl-4-propan-2-ylpyridine?
2-chloro-6-methyl-4-propan-2-ylpyridine has a molecular weight of 169.66 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 19867375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).