5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid

C12H15NO5 — CID 22923831

IUPAC5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
SMILESCCCOc1cc(C(=O)OCC)cnc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-3-5-18-9-6-8(12(16)17-4-2)7-13-10(9)11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyDMMNDRJCAMZQRU-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.75
Rot. Bonds6

About 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid

5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid (PubChem CID 22923831) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
PubChem CID22923831
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
SMILESCCCOc1cc(C(=O)OCC)cnc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-3-5-18-9-6-8(12(16)17-4-2)7-13-10(9)11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyDMMNDRJCAMZQRU-UHFFFAOYSA-N
XLogP1.75
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
ethyl 4-bromo-3-methyl-5-propoxybenzoate
CID 134593928
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
propyl 3,4-dihydroxy-5-propoxybenzoate
CID 123862467
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
CID 67716166
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid (CID 22923831) is 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid is CCCOc1cc(C(=O)OCC)cnc1C(=O)O.
What is the InChIKey of 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid?
The InChIKey is DMMNDRJCAMZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-3-5-18-9-6-8(12(16)17-4-2)7-13-10(9)11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid?
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid is sourced from PubChem (CID 22923831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).