2-tert-butyl-3,4,6-trichloropyridine

C9H10Cl3N — CID 165372044

IUPAC2-tert-butyl-3,4,6-trichloropyridine
SMILESCC(C)(C)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H10Cl3N/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h4H,1-3H3
InChIKeyYHIRHIUSJOGHDW-UHFFFAOYSA-N
MW238.54 g/mol
LogP4.34
Rot. Bonds

About 2-tert-butyl-3,4,6-trichloropyridine

2-tert-butyl-3,4,6-trichloropyridine (PubChem CID 165372044) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is 2-tert-butyl-3,4,6-trichloropyridine.

Molecular Properties

Compound Name2-tert-butyl-3,4,6-trichloropyridine
PubChem CID165372044
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC Name2-tert-butyl-3,4,6-trichloropyridine
SMILESCC(C)(C)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H10Cl3N/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h4H,1-3H3
InChIKeyYHIRHIUSJOGHDW-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 54.34
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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Related Compounds

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4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
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6-tert-butyl-5-chloro-3-fluoropyridin-2-amine
CID 171756183
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950
(6-tert-butyl-2,5-dichloro-3-pyridinyl)methanamine
CID 105492123
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
5-tert-butyl-3-chloro-1,2-oxazole
CID 84650983
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785
2-tert-butyl-3-chloro-6-methoxypyridine
CID 146377381
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
CID 83852104
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CID 59176743

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,6-trichloropyridine?
The IUPAC name of 2-tert-butyl-3,4,6-trichloropyridine (CID 165372044) is 2-tert-butyl-3,4,6-trichloropyridine.
What is the SMILES notation for 2-tert-butyl-3,4,6-trichloropyridine?
The canonical SMILES for 2-tert-butyl-3,4,6-trichloropyridine is CC(C)(C)c1nc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-tert-butyl-3,4,6-trichloropyridine?
The InChIKey is YHIRHIUSJOGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N/c1-9(2,3)8-7(12)5(10)4-6(11)13-8/h4H,1-3H3.
What are the key properties of 2-tert-butyl-3,4,6-trichloropyridine?
2-tert-butyl-3,4,6-trichloropyridine has a molecular weight of 238.54 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,6-trichloropyridine is sourced from PubChem (CID 165372044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).