2,5-dichloro-3-hexylpyridine

C11H15Cl2N — CID 87077345

IUPAC2,5-dichloro-3-hexylpyridine
SMILESCCCCCCc1cc(Cl)cnc1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-3-4-5-6-9-7-10(12)8-14-11(9)13/h7-8H,2-6H2,1H3
InChIKeyZIAUAYKORXMMDI-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.51
Rot. Bonds5

About 2,5-dichloro-3-hexylpyridine

2,5-dichloro-3-hexylpyridine (PubChem CID 87077345) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 2,5-dichloro-3-hexylpyridine.

Molecular Properties

Compound Name2,5-dichloro-3-hexylpyridine
PubChem CID87077345
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name2,5-dichloro-3-hexylpyridine
SMILESCCCCCCc1cc(Cl)cnc1Cl
InChIInChI=1S/C11H15Cl2N/c1-2-3-4-5-6-9-7-10(12)8-14-11(9)13/h7-8H,2-6H2,1H3
InChIKeyZIAUAYKORXMMDI-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(chloromethyl)-5-pentylpyridine
CID 44613258
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-chloro-3-pentylpyridine
CID 54505218
2,5-dichloro-3-(methoxymethyl)pyridine
CID 86699714
3-chloro-5-pentylpyridine
CID 59945518
3-chloro-5-octylpyridine
CID 138579116
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
2-(2,6-dibutyl-4-chlorophenyl)pyridine
CID 160991399
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372
2-(4-chloro-2-tetradecylphenoxy)acetic acid;hydrochloride
CID 70523873
3-pentyl-2,5-dipropylpyridine
CID 174744841

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-hexylpyridine?
The IUPAC name of 2,5-dichloro-3-hexylpyridine (CID 87077345) is 2,5-dichloro-3-hexylpyridine.
What is the SMILES notation for 2,5-dichloro-3-hexylpyridine?
The canonical SMILES for 2,5-dichloro-3-hexylpyridine is CCCCCCc1cc(Cl)cnc1Cl.
What is the InChIKey of 2,5-dichloro-3-hexylpyridine?
The InChIKey is ZIAUAYKORXMMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-2-3-4-5-6-9-7-10(12)8-14-11(9)13/h7-8H,2-6H2,1H3.
What are the key properties of 2,5-dichloro-3-hexylpyridine?
2,5-dichloro-3-hexylpyridine has a molecular weight of 232.15 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-hexylpyridine is sourced from PubChem (CID 87077345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).