2-(2,6-dibutyl-4-chlorophenyl)pyridine

C19H24ClN — CID 160991399

IUPAC2-(2,6-dibutyl-4-chlorophenyl)pyridine
SMILESCCCCc1cc(Cl)cc(CCCC)c1-c1ccccn1
InChIInChI=1S/C19H24ClN/c1-3-5-9-15-13-17(20)14-16(10-6-4-2)19(15)18-11-7-8-12-21-18/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyTURHMQLUJYHPLF-UHFFFAOYSA-N
MW301.86 g/mol
LogP6.09
Rot. Bonds7

About 2-(2,6-dibutyl-4-chlorophenyl)pyridine

2-(2,6-dibutyl-4-chlorophenyl)pyridine (PubChem CID 160991399) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(2,6-dibutyl-4-chlorophenyl)pyridine.

Molecular Properties

Compound Name2-(2,6-dibutyl-4-chlorophenyl)pyridine
PubChem CID160991399
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(2,6-dibutyl-4-chlorophenyl)pyridine
SMILESCCCCc1cc(Cl)cc(CCCC)c1-c1ccccn1
InChIInChI=1S/C19H24ClN/c1-3-5-9-15-13-17(20)14-16(10-6-4-2)19(15)18-11-7-8-12-21-18/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyTURHMQLUJYHPLF-UHFFFAOYSA-N
XLogP6.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-butylphenyl)pyridine
CID 11977286
4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281
2-(2-octylphenyl)pyridine
CID 15643012
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
2-chloro-3-pentylpyridine
CID 54505218
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-(3-butylnaphthalen-2-yl)pyridine;3-butyl-2-pyridin-2-ylnaphthalene-1-carbaldehyde
CID 175044459
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibutyl-4-chlorophenyl)pyridine?
The IUPAC name of 2-(2,6-dibutyl-4-chlorophenyl)pyridine (CID 160991399) is 2-(2,6-dibutyl-4-chlorophenyl)pyridine.
What is the SMILES notation for 2-(2,6-dibutyl-4-chlorophenyl)pyridine?
The canonical SMILES for 2-(2,6-dibutyl-4-chlorophenyl)pyridine is CCCCc1cc(Cl)cc(CCCC)c1-c1ccccn1.
What is the InChIKey of 2-(2,6-dibutyl-4-chlorophenyl)pyridine?
The InChIKey is TURHMQLUJYHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-5-9-15-13-17(20)14-16(10-6-4-2)19(15)18-11-7-8-12-21-18/h7-8,11-14H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2,6-dibutyl-4-chlorophenyl)pyridine?
2-(2,6-dibutyl-4-chlorophenyl)pyridine has a molecular weight of 301.86 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibutyl-4-chlorophenyl)pyridine is sourced from PubChem (CID 160991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).