2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid

C13H17N3O3 — CID 141260969

IUPAC2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1=C(O)N(C)C(c2ncccc2C(=O)O)N1
InChIInChI=1S/C13H17N3O3/c1-7(2)9-12(17)16(3)11(15-9)10-8(13(18)19)5-4-6-14-10/h4-7,11,15,17H,1-3H3,(H,18,19)
InChIKeyDOARLOXRYUYDLF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid

2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 141260969) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID141260969
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1=C(O)N(C)C(c2ncccc2C(=O)O)N1
InChIInChI=1S/C13H17N3O3/c1-7(2)9-12(17)16(3)11(15-9)10-8(13(18)19)5-4-6-14-10/h4-7,11,15,17H,1-3H3,(H,18,19)
InChIKeyDOARLOXRYUYDLF-UHFFFAOYSA-N
XLogP1.70
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid (CID 141260969) is 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid is CC(C)C1=C(O)N(C)C(c2ncccc2C(=O)O)N1.
What is the InChIKey of 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is DOARLOXRYUYDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7(2)9-12(17)16(3)11(15-9)10-8(13(18)19)5-4-6-14-10/h4-7,11,15,17H,1-3H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid?
2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methyl-5-propan-2-yl-1,2-dihydroimidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 141260969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).