4-(4-tert-butylphenyl)-2,6-dichloropyridine

C15H15Cl2N — CID 170341950

IUPAC4-(4-tert-butylphenyl)-2,6-dichloropyridine
SMILESCC(C)(C)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N/c1-15(2,3)12-6-4-10(5-7-12)11-8-13(16)18-14(17)9-11/h4-9H,1-3H3
InChIKeyDNFTYBLSQNAMKK-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.35
Rot. Bonds1

About 4-(4-tert-butylphenyl)-2,6-dichloropyridine

4-(4-tert-butylphenyl)-2,6-dichloropyridine (PubChem CID 170341950) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2,6-dichloropyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2,6-dichloropyridine
PubChem CID170341950
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name4-(4-tert-butylphenyl)-2,6-dichloropyridine
SMILESCC(C)(C)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N/c1-15(2,3)12-6-4-10(5-7-12)11-8-13(16)18-14(17)9-11/h4-9H,1-3H3
InChIKeyDNFTYBLSQNAMKK-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.35
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

4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
CID 175745672
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazine
CID 10379220
4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
CID 176593095
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine
CID 58151679
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
3-(4-tert-butylphenyl)-5-chloro-1H-1,2,4-triazole
CID 54772744
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2,6-dichloropyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-2,6-dichloropyridine (CID 170341950) is 4-(4-tert-butylphenyl)-2,6-dichloropyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2,6-dichloropyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2,6-dichloropyridine is CC(C)(C)c1ccc(-c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2,6-dichloropyridine?
The InChIKey is DNFTYBLSQNAMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-15(2,3)12-6-4-10(5-7-12)11-8-13(16)18-14(17)9-11/h4-9H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2,6-dichloropyridine?
4-(4-tert-butylphenyl)-2,6-dichloropyridine has a molecular weight of 280.20 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2,6-dichloropyridine is sourced from PubChem (CID 170341950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).