6-hydroxyhexyl 5-aminopyridine-2-carboxylate

C12H18N2O3 — CID 104934318

IUPAC6-hydroxyhexyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCCCCCO)nc1
InChIInChI=1S/C12H18N2O3/c13-10-5-6-11(14-9-10)12(16)17-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8,13H2
InChIKeyQZQGSLCZOARNMB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.37
Rot. Bonds7

About 6-hydroxyhexyl 5-aminopyridine-2-carboxylate

6-hydroxyhexyl 5-aminopyridine-2-carboxylate (PubChem CID 104934318) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-hydroxyhexyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name6-hydroxyhexyl 5-aminopyridine-2-carboxylate
PubChem CID104934318
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-hydroxyhexyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCCCCCO)nc1
InChIInChI=1S/C12H18N2O3/c13-10-5-6-11(14-9-10)12(16)17-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8,13H2
InChIKeyQZQGSLCZOARNMB-UHFFFAOYSA-N
XLogP1.37
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-hydroxyhexyl 5-aminopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
butyl 5-aminopyridine-2-carboxylate
CID 81315833
3-(2,2,2-trifluoroethoxy)propyl 5-aminopyridine-2-carboxylate
CID 81318177
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
CID 82906963

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 6-hydroxyhexyl 5-aminopyridine-2-carboxylate (CID 104934318) is 6-hydroxyhexyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 6-hydroxyhexyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 6-hydroxyhexyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCCCCCCO)nc1.
What is the InChIKey of 6-hydroxyhexyl 5-aminopyridine-2-carboxylate?
The InChIKey is QZQGSLCZOARNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-10-5-6-11(14-9-10)12(16)17-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8,13H2.
What are the key properties of 6-hydroxyhexyl 5-aminopyridine-2-carboxylate?
6-hydroxyhexyl 5-aminopyridine-2-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 104934318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).