5-propoxypyridine-2-carboxylic acid

C9H11NO3 — CID 12919808

IUPAC5-propoxypyridine-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H11NO3/c1-2-5-13-7-3-4-8(9(11)12)10-6-7/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyVWNSBPTWSFUTHE-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.57
Rot. Bonds4

About 5-propoxypyridine-2-carboxylic acid

5-propoxypyridine-2-carboxylic acid (PubChem CID 12919808) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-propoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-propoxypyridine-2-carboxylic acid
PubChem CID12919808
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-propoxypyridine-2-carboxylic acid
SMILESCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H11NO3/c1-2-5-13-7-3-4-8(9(11)12)10-6-7/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyVWNSBPTWSFUTHE-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 5-propoxypyridine-2-carboxylic acid?
The IUPAC name of 5-propoxypyridine-2-carboxylic acid (CID 12919808) is 5-propoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-propoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-propoxypyridine-2-carboxylic acid is CCCOc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-propoxypyridine-2-carboxylic acid?
The InChIKey is VWNSBPTWSFUTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-5-13-7-3-4-8(9(11)12)10-6-7/h3-4,6H,2,5H2,1H3,(H,11,12).
What are the key properties of 5-propoxypyridine-2-carboxylic acid?
5-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 5-propoxypyridine-2-carboxylic acid is sourced from PubChem (CID 12919808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).