2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid

C14H14N2O3 — CID 117096595

IUPAC2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(C)(Oc1ncccc1C(=O)O)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-14(2,10-5-8-15-9-6-10)19-12-11(13(17)18)4-3-7-16-12/h3-9H,1-2H3,(H,17,18)
InChIKeyZQPPKWUCVUBTNB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid

2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid (PubChem CID 117096595) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
PubChem CID117096595
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
SMILESCC(C)(Oc1ncccc1C(=O)O)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-14(2,10-5-8-15-9-6-10)19-12-11(13(17)18)4-3-7-16-12/h3-9H,1-2H3,(H,17,18)
InChIKeyZQPPKWUCVUBTNB-UHFFFAOYSA-N
XLogP2.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
CID 43238290
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid (CID 117096595) is 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid is CC(C)(Oc1ncccc1C(=O)O)c1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid?
The InChIKey is ZQPPKWUCVUBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-14(2,10-5-8-15-9-6-10)19-12-11(13(17)18)4-3-7-16-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid?
2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 117096595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).