2,4-diethoxypyridine-3-carboxylic acid

C10H13NO4 — CID 90411373

IUPAC2,4-diethoxypyridine-3-carboxylic acid
SMILESCCOc1ccnc(OCC)c1C(=O)O
InChIInChI=1S/C10H13NO4/c1-3-14-7-5-6-11-9(15-4-2)8(7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyRXTYKWXSZUJKCC-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.58
Rot. Bonds5

About 2,4-diethoxypyridine-3-carboxylic acid

2,4-diethoxypyridine-3-carboxylic acid (PubChem CID 90411373) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2,4-diethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-diethoxypyridine-3-carboxylic acid
PubChem CID90411373
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2,4-diethoxypyridine-3-carboxylic acid
SMILESCCOc1ccnc(OCC)c1C(=O)O
InChIInChI=1S/C10H13NO4/c1-3-14-7-5-6-11-9(15-4-2)8(7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyRXTYKWXSZUJKCC-UHFFFAOYSA-N
XLogP1.58
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
2-ethoxy-6-propylbenzoic acid
CID 142472864
7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
CID 84675802
methyl 4-ethoxy-2-(2-methylbutan-2-yl)pyridine-3-carboxylate
CID 145106317
2-(1-chloro-2-oxopropyl)-6-ethoxybenzoic acid
CID 170837659
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
CID 122564734
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
2-ethoxybenzoic acid;zinc
CID 172723273
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxypyridine-3-carboxylic acid?
The IUPAC name of 2,4-diethoxypyridine-3-carboxylic acid (CID 90411373) is 2,4-diethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-diethoxypyridine-3-carboxylic acid?
The canonical SMILES for 2,4-diethoxypyridine-3-carboxylic acid is CCOc1ccnc(OCC)c1C(=O)O.
What is the InChIKey of 2,4-diethoxypyridine-3-carboxylic acid?
The InChIKey is RXTYKWXSZUJKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-14-7-5-6-11-9(15-4-2)8(7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,4-diethoxypyridine-3-carboxylic acid?
2,4-diethoxypyridine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 90411373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).