5-tert-butyl-2-chloro-3-methylpyridine

C10H14ClN — CID 56974537

IUPAC5-tert-butyl-2-chloro-3-methylpyridine
SMILESCc1cc(C(C)(C)C)cnc1Cl
InChIInChI=1S/C10H14ClN/c1-7-5-8(10(2,3)4)6-12-9(7)11/h5-6H,1-4H3
InChIKeyWCYIVPBWNKMJKG-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.34
Rot. Bonds

About 5-tert-butyl-2-chloro-3-methylpyridine

5-tert-butyl-2-chloro-3-methylpyridine (PubChem CID 56974537) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-3-methylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-3-methylpyridine
PubChem CID56974537
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name5-tert-butyl-2-chloro-3-methylpyridine
SMILESCc1cc(C(C)(C)C)cnc1Cl
InChIInChI=1S/C10H14ClN/c1-7-5-8(10(2,3)4)6-12-9(7)11/h5-6H,1-4H3
InChIKeyWCYIVPBWNKMJKG-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.34
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 5-tert-butyl-2-chloro-3-methylpyridine?
The IUPAC name of 5-tert-butyl-2-chloro-3-methylpyridine (CID 56974537) is 5-tert-butyl-2-chloro-3-methylpyridine.
What is the SMILES notation for 5-tert-butyl-2-chloro-3-methylpyridine?
The canonical SMILES for 5-tert-butyl-2-chloro-3-methylpyridine is Cc1cc(C(C)(C)C)cnc1Cl.
What is the InChIKey of 5-tert-butyl-2-chloro-3-methylpyridine?
The InChIKey is WCYIVPBWNKMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-5-8(10(2,3)4)6-12-9(7)11/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-2-chloro-3-methylpyridine?
5-tert-butyl-2-chloro-3-methylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-3-methylpyridine is sourced from PubChem (CID 56974537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).