3-propan-2-yloxypyridine-2,6-dicarboxylic acid

C10H11NO5 — CID 141375769

IUPAC3-propan-2-yloxypyridine-2,6-dicarboxylic acid
SMILESCC(C)Oc1ccc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-5(2)16-7-4-3-6(9(12)13)11-8(7)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyNYOOTIFZNCPTIL-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.27
Rot. Bonds4

About 3-propan-2-yloxypyridine-2,6-dicarboxylic acid

3-propan-2-yloxypyridine-2,6-dicarboxylic acid (PubChem CID 141375769) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-propan-2-yloxypyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3-propan-2-yloxypyridine-2,6-dicarboxylic acid
PubChem CID141375769
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-propan-2-yloxypyridine-2,6-dicarboxylic acid
SMILESCC(C)Oc1ccc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-5(2)16-7-4-3-6(9(12)13)11-8(7)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyNYOOTIFZNCPTIL-UHFFFAOYSA-N
XLogP1.27
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-3-methoxypyridine-2-carboxylic acid
CID 83818532
4-propan-2-yloxy-1,2-oxazole-3-carboxylic acid
CID 157031880
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 82488459
3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
CID 121228467
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
1-ethyl-4-propan-2-yloxypyrazole-3-carboxylic acid
CID 155892423
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 95478846

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypyridine-2,6-dicarboxylic acid?
The IUPAC name of 3-propan-2-yloxypyridine-2,6-dicarboxylic acid (CID 141375769) is 3-propan-2-yloxypyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 3-propan-2-yloxypyridine-2,6-dicarboxylic acid?
The canonical SMILES for 3-propan-2-yloxypyridine-2,6-dicarboxylic acid is CC(C)Oc1ccc(C(=O)O)nc1C(=O)O.
What is the InChIKey of 3-propan-2-yloxypyridine-2,6-dicarboxylic acid?
The InChIKey is NYOOTIFZNCPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5(2)16-7-4-3-6(9(12)13)11-8(7)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-propan-2-yloxypyridine-2,6-dicarboxylic acid?
3-propan-2-yloxypyridine-2,6-dicarboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 141375769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).