3-tert-butyl-2,4-dichloropyridine

C9H11Cl2N — CID 152672393

IUPAC3-tert-butyl-2,4-dichloropyridine
SMILESCC(C)(C)c1c(Cl)ccnc1Cl
InChIInChI=1S/C9H11Cl2N/c1-9(2,3)7-6(10)4-5-12-8(7)11/h4-5H,1-3H3
InChIKeyZLUVALGIMJIUIT-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.69
Rot. Bonds

About 3-tert-butyl-2,4-dichloropyridine

3-tert-butyl-2,4-dichloropyridine (PubChem CID 152672393) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3-tert-butyl-2,4-dichloropyridine.

Molecular Properties

Compound Name3-tert-butyl-2,4-dichloropyridine
PubChem CID152672393
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name3-tert-butyl-2,4-dichloropyridine
SMILESCC(C)(C)c1c(Cl)ccnc1Cl
InChIInChI=1S/C9H11Cl2N/c1-9(2,3)7-6(10)4-5-12-8(7)11/h4-5H,1-3H3
InChIKeyZLUVALGIMJIUIT-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.69
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

3-tert-butyl-2-chloro-4-iodopyridine
CID 170927474
2-(2,4-dichloro-3-pyridinyl)-2,2-dimethoxyacetaldehyde
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3-tert-butyl-2-chloro-4-(oxolan-3-yl)pyridine
CID 154614887
4-chloro-3-(trifluoromethyl)pyridin-2-amine;ethane
CID 167491380
4-tert-butyl-8-chloroquinoline
CID 59637005
2-tert-butyl-1-chloro-3-phenylbenzene
CID 54287160
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
3-tert-butyl-2,4-difluoropyridine
CID 165371887
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
2,3-dichloro-4-methylpyridine
CID 18930251
4-tert-butyl-3-chloro-N-methylpyridin-2-amine
CID 162501216
2,4-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 118995083

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,4-dichloropyridine?
The IUPAC name of 3-tert-butyl-2,4-dichloropyridine (CID 152672393) is 3-tert-butyl-2,4-dichloropyridine.
What is the SMILES notation for 3-tert-butyl-2,4-dichloropyridine?
The canonical SMILES for 3-tert-butyl-2,4-dichloropyridine is CC(C)(C)c1c(Cl)ccnc1Cl.
What is the InChIKey of 3-tert-butyl-2,4-dichloropyridine?
The InChIKey is ZLUVALGIMJIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-9(2,3)7-6(10)4-5-12-8(7)11/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-2,4-dichloropyridine?
3-tert-butyl-2,4-dichloropyridine has a molecular weight of 204.10 g/mol, XLogP of 3.69, 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-dichloropyridine is sourced from PubChem (CID 152672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).