4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine

C12H19ClN2O — CID 22764253

IUPAC4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
SMILESCCCCCC/N=c1\cc(Cl)cc(C)n1O
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-7-14-12-9-11(13)8-10(2)15(12)16/h8-9,16H,3-7H2,1-2H3/b14-12+
InChIKeyZSWXVPQTIGOBMW-WYMLVPIESA-N
MW242.75 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine

4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine (PubChem CID 22764253) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine.

Molecular Properties

Compound Name4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
PubChem CID22764253
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine
SMILESCCCCCC/N=c1\cc(Cl)cc(C)n1O
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-7-14-12-9-11(13)8-10(2)15(12)16/h8-9,16H,3-7H2,1-2H3/b14-12+
InChIKeyZSWXVPQTIGOBMW-WYMLVPIESA-N
XLogP3.17
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
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-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766002
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CID 18766004
6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
1-hydroxy-6-octadecyliminopyrimidin-2-amine
CID 18765979
4-butoxy-6-butylimino-1-hydroxypyrimidin-2-amine
CID 18421241
4-chloro-6-hexyl-1-hydroxypyridin-2-imine
CID 22764365
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CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
2,6-dichloro-N-octyl-1,3-dihydrotriazin-4-imine
CID 135784100
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
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CID 19014164
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine?
The IUPAC name of 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine (CID 22764253) is 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine.
What is the SMILES notation for 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine?
The canonical SMILES for 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine is CCCCCC/N=c1\cc(Cl)cc(C)n1O.
What is the InChIKey of 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine?
The InChIKey is ZSWXVPQTIGOBMW-WYMLVPIESA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-4-5-6-7-14-12-9-11(13)8-10(2)15(12)16/h8-9,16H,3-7H2,1-2H3/b14-12+.
What are the key properties of 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine?
4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine has a molecular weight of 242.75 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexyl-1-hydroxy-6-methylpyridin-2-imine is sourced from PubChem (CID 22764253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).