6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol

C11H17ClN2O — CID 103918247

IUPAC6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
SMILESOCCCCCCNc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c12-11-9-10(5-7-14-11)13-6-3-1-2-4-8-15/h5,7,9,15H,1-4,6,8H2,(H,13,14)
InChIKeyYDMZOQJEYPGIRO-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.70
Rot. Bonds7

About 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol

6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol (PubChem CID 103918247) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
PubChem CID103918247
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
SMILESOCCCCCCNc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c12-11-9-10(5-7-14-11)13-6-3-1-2-4-8-15/h5,7,9,15H,1-4,6,8H2,(H,13,14)
InChIKeyYDMZOQJEYPGIRO-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
CID 133480149
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
5-(3-iodoanilino)pentan-1-ol
CID 62228446
N-[3-(benzenesulfonyl)propyl]-2-chloropyridin-4-amine
CID 133360299
2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
CID 133360019
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol (CID 103918247) is 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol is OCCCCCCNc1ccnc(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol?
The InChIKey is YDMZOQJEYPGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c12-11-9-10(5-7-14-11)13-6-3-1-2-4-8-15/h5,7,9,15H,1-4,6,8H2,(H,13,14).
What are the key properties of 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol?
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 103918247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).