2-ethoxy-6-propoxypyridine-4-carboxylic acid

C11H15NO4 — CID 130427459

IUPAC2-ethoxy-6-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cc(C(=O)O)cc(OCC)n1
InChIInChI=1S/C11H15NO4/c1-3-5-16-10-7-8(11(13)14)6-9(12-10)15-4-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZJDWCAQHDDPCBM-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxy-6-propoxypyridine-4-carboxylic acid

2-ethoxy-6-propoxypyridine-4-carboxylic acid (PubChem CID 130427459) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-ethoxy-6-propoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-6-propoxypyridine-4-carboxylic acid
PubChem CID130427459
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-ethoxy-6-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cc(C(=O)O)cc(OCC)n1
InChIInChI=1S/C11H15NO4/c1-3-5-16-10-7-8(11(13)14)6-9(12-10)15-4-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZJDWCAQHDDPCBM-UHFFFAOYSA-N
XLogP1.97
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
CID 113379652
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
CID 113379610
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-fluoro-5-propoxybenzoic acid
CID 91636267
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
3-ethoxy-6-propoxypyridazine
CID 163526291
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-propoxypyridine-4-carboxylic acid?
The IUPAC name of 2-ethoxy-6-propoxypyridine-4-carboxylic acid (CID 130427459) is 2-ethoxy-6-propoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxy-6-propoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-ethoxy-6-propoxypyridine-4-carboxylic acid is CCCOc1cc(C(=O)O)cc(OCC)n1.
What is the InChIKey of 2-ethoxy-6-propoxypyridine-4-carboxylic acid?
The InChIKey is ZJDWCAQHDDPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-5-16-10-7-8(11(13)14)6-9(12-10)15-4-2/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-6-propoxypyridine-4-carboxylic acid?
2-ethoxy-6-propoxypyridine-4-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-propoxypyridine-4-carboxylic acid is sourced from PubChem (CID 130427459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).