2-(5-butan-2-yl-2-chlorophenyl)pyridine

C15H16ClN — CID 123184659

IUPAC2-(5-butan-2-yl-2-chlorophenyl)pyridine
SMILESCCC(C)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C15H16ClN/c1-3-11(2)12-7-8-14(16)13(10-12)15-6-4-5-9-17-15/h4-11H,3H2,1-2H3
InChIKeyUHVQPOWFFOJPCT-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.92
Rot. Bonds3

About 2-(5-butan-2-yl-2-chlorophenyl)pyridine

2-(5-butan-2-yl-2-chlorophenyl)pyridine (PubChem CID 123184659) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(5-butan-2-yl-2-chlorophenyl)pyridine.

Molecular Properties

Compound Name2-(5-butan-2-yl-2-chlorophenyl)pyridine
PubChem CID123184659
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-(5-butan-2-yl-2-chlorophenyl)pyridine
SMILESCCC(C)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C15H16ClN/c1-3-11(2)12-7-8-14(16)13(10-12)15-6-4-5-9-17-15/h4-11H,3H2,1-2H3
InChIKeyUHVQPOWFFOJPCT-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
5-butan-2-yl-2-pyridin-2-ylisoindole-1,3-dione
CID 144569853
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
4-butan-2-yl-2-naphthalen-1-ylpyridine
CID 91469714
5-butan-2-yl-2-chlorobenzamide
CID 129129656
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane
CID 143289444
propane;2-pyridin-2-ylpyridine
CID 158168510
5-butan-2-yl-1-pyridin-2-yl-2H-indol-2-ide;platinum
CID 58161906
5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3531352

Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-2-chlorophenyl)pyridine?
The IUPAC name of 2-(5-butan-2-yl-2-chlorophenyl)pyridine (CID 123184659) is 2-(5-butan-2-yl-2-chlorophenyl)pyridine.
What is the SMILES notation for 2-(5-butan-2-yl-2-chlorophenyl)pyridine?
The canonical SMILES for 2-(5-butan-2-yl-2-chlorophenyl)pyridine is CCC(C)c1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 2-(5-butan-2-yl-2-chlorophenyl)pyridine?
The InChIKey is UHVQPOWFFOJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-3-11(2)12-7-8-14(16)13(10-12)15-6-4-5-9-17-15/h4-11H,3H2,1-2H3.
What are the key properties of 2-(5-butan-2-yl-2-chlorophenyl)pyridine?
2-(5-butan-2-yl-2-chlorophenyl)pyridine has a molecular weight of 245.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-2-chlorophenyl)pyridine is sourced from PubChem (CID 123184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).