2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid

C12H13N3O2 — CID 90406886

IUPAC2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESCCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-5-15-7-11(14-8-15)10-6-9(12(16)17)3-4-13-10/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyOJXCGLCDLOSZJU-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds4

About 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid

2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 90406886) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid
PubChem CID90406886
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESCCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H13N3O2/c1-2-5-15-7-11(14-8-15)10-6-9(12(16)17)3-4-13-10/h3-4,6-8H,2,5H2,1H3,(H,16,17)
InChIKeyOJXCGLCDLOSZJU-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid (CID 90406886) is 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid is CCCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is OJXCGLCDLOSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-5-15-7-11(14-8-15)10-6-9(12(16)17)3-4-13-10/h3-4,6-8H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid?
2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90406886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).