4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid

C14H19NO5 — CID 139664804

IUPAC4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid
SMILESCCCCCCOC(=O)c1ccnc(C(=O)O)c1OC
InChIInChI=1S/C14H19NO5/c1-3-4-5-6-9-20-14(18)10-7-8-15-11(13(16)17)12(10)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGWKMIDFKZHRJLZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.53
Rot. Bonds8

About 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid

4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid (PubChem CID 139664804) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid
PubChem CID139664804
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid
SMILESCCCCCCOC(=O)c1ccnc(C(=O)O)c1OC
InChIInChI=1S/C14H19NO5/c1-3-4-5-6-9-20-14(18)10-7-8-15-11(13(16)17)12(10)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGWKMIDFKZHRJLZ-UHFFFAOYSA-N
XLogP2.53
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid 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

10-tridecoxycarbonylperylene-3,4,9-tricarboxylic acid
CID 174876879
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684
2-(4-hexoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158415577
hexyl 2-ethoxy-3-methoxybenzoate
CID 82186457
5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid
CID 20554664
benzene;dioctyl benzene-1,2-dicarboxylate;zinc
CID 174864297
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
diicosyl benzene-1,2-dicarboxylate
CID 22491819
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391

Frequently Asked Questions

What is the IUPAC name of 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid (CID 139664804) is 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid is CCCCCCOC(=O)c1ccnc(C(=O)O)c1OC.
What is the InChIKey of 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
The InChIKey is GWKMIDFKZHRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-4-5-6-9-20-14(18)10-7-8-15-11(13(16)17)12(10)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid?
4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxycarbonyl-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 139664804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).