5-amino-6-butoxypyridine-2-carboxylic acid

C10H14N2O3 — CID 114408773

IUPAC5-amino-6-butoxypyridine-2-carboxylic acid
SMILESCCCCOc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(11)4-5-8(12-9)10(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14)
InChIKeyUYOWVNLZRPKPNE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.54
Rot. Bonds5

About 5-amino-6-butoxypyridine-2-carboxylic acid

5-amino-6-butoxypyridine-2-carboxylic acid (PubChem CID 114408773) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-amino-6-butoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-butoxypyridine-2-carboxylic acid
PubChem CID114408773
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-amino-6-butoxypyridine-2-carboxylic acid
SMILESCCCCOc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(11)4-5-8(12-9)10(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14)
InChIKeyUYOWVNLZRPKPNE-UHFFFAOYSA-N
XLogP1.54
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
5-amino-6-(3-methoxy-3-methylbutoxy)pyridine-2-carboxylic acid
CID 106666355
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
5-amino-6-(2-ethoxyethoxy)pyridine-2-carboxamide
CID 114408541
5-amino-6-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxylic acid
CID 114408647
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
6-chloro-2-heptoxypyridin-3-amine
CID 115474479

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-butoxypyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-butoxypyridine-2-carboxylic acid (CID 114408773) is 5-amino-6-butoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-butoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-butoxypyridine-2-carboxylic acid is CCCCOc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-butoxypyridine-2-carboxylic acid?
The InChIKey is UYOWVNLZRPKPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(11)4-5-8(12-9)10(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-6-butoxypyridine-2-carboxylic acid?
5-amino-6-butoxypyridine-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-butoxypyridine-2-carboxylic acid is sourced from PubChem (CID 114408773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).