3-tert-butyl-2,4-dichloro-6-methylpyridine

C10H13Cl2N — CID 59866073

IUPAC3-tert-butyl-2,4-dichloro-6-methylpyridine
SMILESCc1cc(Cl)c(C(C)(C)C)c(Cl)n1
InChIInChI=1S/C10H13Cl2N/c1-6-5-7(11)8(9(12)13-6)10(2,3)4/h5H,1-4H3
InChIKeyKYQDCQWKUKZHGE-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.99
Rot. Bonds

About 3-tert-butyl-2,4-dichloro-6-methylpyridine

3-tert-butyl-2,4-dichloro-6-methylpyridine (PubChem CID 59866073) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-tert-butyl-2,4-dichloro-6-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-2,4-dichloro-6-methylpyridine
PubChem CID59866073
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name3-tert-butyl-2,4-dichloro-6-methylpyridine
SMILESCc1cc(Cl)c(C(C)(C)C)c(Cl)n1
InChIInChI=1S/C10H13Cl2N/c1-6-5-7(11)8(9(12)13-6)10(2,3)4/h5H,1-4H3
InChIKeyKYQDCQWKUKZHGE-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.99
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 3-tert-butyl-2,4-dichloro-6-methylpyridine?
The IUPAC name of 3-tert-butyl-2,4-dichloro-6-methylpyridine (CID 59866073) is 3-tert-butyl-2,4-dichloro-6-methylpyridine.
What is the SMILES notation for 3-tert-butyl-2,4-dichloro-6-methylpyridine?
The canonical SMILES for 3-tert-butyl-2,4-dichloro-6-methylpyridine is Cc1cc(Cl)c(C(C)(C)C)c(Cl)n1.
What is the InChIKey of 3-tert-butyl-2,4-dichloro-6-methylpyridine?
The InChIKey is KYQDCQWKUKZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-6-5-7(11)8(9(12)13-6)10(2,3)4/h5H,1-4H3.
What are the key properties of 3-tert-butyl-2,4-dichloro-6-methylpyridine?
3-tert-butyl-2,4-dichloro-6-methylpyridine has a molecular weight of 218.13 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,4-dichloro-6-methylpyridine is sourced from PubChem (CID 59866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).