5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid

C10H13NO4 — CID 63851857

IUPAC5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCC(C)(O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-10(2,14)6-15-8-3-7(9(12)13)4-11-5-8/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyPFUWZQWIXDTKDV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.93
Rot. Bonds4

About 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid

5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid (PubChem CID 63851857) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
PubChem CID63851857
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCC(C)(O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-10(2,14)6-15-8-3-7(9(12)13)4-11-5-8/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyPFUWZQWIXDTKDV-UHFFFAOYSA-N
XLogP0.93
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-butoxypyridine-3-carboxylic acid
CID 63851154
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-[2-(diethylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851867
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid (CID 63851857) is 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid is CC(C)(O)COc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid?
The InChIKey is PFUWZQWIXDTKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(2,14)6-15-8-3-7(9(12)13)4-11-5-8/h3-5,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid?
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63851857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).