4-chloro-6-hexyl-1-hydroxypyridin-2-imine

C11H17ClN2O — CID 22764365

IUPAC4-chloro-6-hexyl-1-hydroxypyridin-2-imine
SMILES[H]/N=c1\cc(Cl)cc(CCCCCC)n1O
InChIInChI=1S/C11H17ClN2O/c1-2-3-4-5-6-10-7-9(12)8-11(13)14(10)15/h7-8,13,15H,2-6H2,1H3/b13-11+
InChIKeyATSPQMLMFZVHPL-ACCUITESSA-N
MW228.72 g/mol
LogP2.98
Rot. Bonds5

About 4-chloro-6-hexyl-1-hydroxypyridin-2-imine

4-chloro-6-hexyl-1-hydroxypyridin-2-imine (PubChem CID 22764365) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-6-hexyl-1-hydroxypyridin-2-imine.

Molecular Properties

Compound Name4-chloro-6-hexyl-1-hydroxypyridin-2-imine
PubChem CID22764365
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-6-hexyl-1-hydroxypyridin-2-imine
SMILES[H]/N=c1\cc(Cl)cc(CCCCCC)n1O
InChIInChI=1S/C11H17ClN2O/c1-2-3-4-5-6-10-7-9(12)8-11(13)14(10)15/h7-8,13,15H,2-6H2,1H3/b13-11+
InChIKeyATSPQMLMFZVHPL-ACCUITESSA-N
XLogP2.98
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
CID 22764253
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3-chloro-5-pentylpyridine
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3-chloro-5-octylpyridine
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1-chloro-3-octylbenzene
CID 11458768
3-undecylfuran
CID 13123134
3-octylfuran
CID 12700162
cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
CID 168894330
2,5-dichloro-3-hexylpyridine
CID 87077345
4-chloro-6-heptylbenzene-1,3-diol
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1-butyl-3,5-di(tetradecyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hexyl-1-hydroxypyridin-2-imine?
The IUPAC name of 4-chloro-6-hexyl-1-hydroxypyridin-2-imine (CID 22764365) is 4-chloro-6-hexyl-1-hydroxypyridin-2-imine.
What is the SMILES notation for 4-chloro-6-hexyl-1-hydroxypyridin-2-imine?
The canonical SMILES for 4-chloro-6-hexyl-1-hydroxypyridin-2-imine is [H]/N=c1\cc(Cl)cc(CCCCCC)n1O.
What is the InChIKey of 4-chloro-6-hexyl-1-hydroxypyridin-2-imine?
The InChIKey is ATSPQMLMFZVHPL-ACCUITESSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-2-3-4-5-6-10-7-9(12)8-11(13)14(10)15/h7-8,13,15H,2-6H2,1H3/b13-11+.
What are the key properties of 4-chloro-6-hexyl-1-hydroxypyridin-2-imine?
4-chloro-6-hexyl-1-hydroxypyridin-2-imine has a molecular weight of 228.72 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hexyl-1-hydroxypyridin-2-imine is sourced from PubChem (CID 22764365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).