2-chloro-3-dodecylpyridine

C17H28ClN — CID 54546812

IUPAC2-chloro-3-dodecylpyridine
SMILESCCCCCCCCCCCCc1cccnc1Cl
InChIInChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-17(16)18/h12,14-15H,2-11,13H2,1H3
InChIKeyZHCGNDFUPSKOQS-UHFFFAOYSA-N
MW281.87 g/mol
LogP6.20
Rot. Bonds11

About 2-chloro-3-dodecylpyridine

2-chloro-3-dodecylpyridine (PubChem CID 54546812) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-chloro-3-dodecylpyridine.

Molecular Properties

Compound Name2-chloro-3-dodecylpyridine
PubChem CID54546812
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-chloro-3-dodecylpyridine
SMILESCCCCCCCCCCCCc1cccnc1Cl
InChIInChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-17(16)18/h12,14-15H,2-11,13H2,1H3
InChIKeyZHCGNDFUPSKOQS-UHFFFAOYSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 56.20
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-hexylpyridine
CID 54056214
2-chloro-3-pentylpyridine
CID 54505218
3-heptyl-2-methylpyridine
CID 134369519
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
2-dodecyl-3-ethylpyridine
CID 160514040
2-(2-octylphenyl)pyridine
CID 15643012
2-nonylpyrimidine
CID 23297050
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-dodecylpyridine?
The IUPAC name of 2-chloro-3-dodecylpyridine (CID 54546812) is 2-chloro-3-dodecylpyridine.
What is the SMILES notation for 2-chloro-3-dodecylpyridine?
The canonical SMILES for 2-chloro-3-dodecylpyridine is CCCCCCCCCCCCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-dodecylpyridine?
The InChIKey is ZHCGNDFUPSKOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19-17(16)18/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 2-chloro-3-dodecylpyridine?
2-chloro-3-dodecylpyridine has a molecular weight of 281.87 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-dodecylpyridine is sourced from PubChem (CID 54546812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).