3-propoxypyridine-2-carboxylic acid

C9H11NO3 — CID 19756142

IUPAC3-propoxypyridine-2-carboxylic acid
SMILESCCCOc1cccnc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyXJFABQUUYAJFFJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.57
Rot. Bonds4

About 3-propoxypyridine-2-carboxylic acid

3-propoxypyridine-2-carboxylic acid (PubChem CID 19756142) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-propoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-propoxypyridine-2-carboxylic acid
PubChem CID19756142
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-propoxypyridine-2-carboxylic acid
SMILESCCCOc1cccnc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyXJFABQUUYAJFFJ-UHFFFAOYSA-N
XLogP1.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propoxypyridine-2-carboxylic acid?
The IUPAC name of 3-propoxypyridine-2-carboxylic acid (CID 19756142) is 3-propoxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-propoxypyridine-2-carboxylic acid?
The canonical SMILES for 3-propoxypyridine-2-carboxylic acid is CCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-propoxypyridine-2-carboxylic acid?
The InChIKey is XJFABQUUYAJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 3-propoxypyridine-2-carboxylic acid?
3-propoxypyridine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxypyridine-2-carboxylic acid is sourced from PubChem (CID 19756142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).