2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid

C10H13NO5 — CID 70182858

IUPAC2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(O)(CO)CCO
InChIInChI=1S/C10H13NO5/c12-5-3-10(16,6-13)8-7(9(14)15)2-1-4-11-8/h1-2,4,12-13,16H,3,5-6H2,(H,14,15)
InChIKeyUYQDAXKAJTZOKS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.66
Rot. Bonds5

About 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid

2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid (PubChem CID 70182858) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
PubChem CID70182858
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(O)(CO)CCO
InChIInChI=1S/C10H13NO5/c12-5-3-10(16,6-13)8-7(9(14)15)2-1-4-11-8/h1-2,4,12-13,16H,3,5-6H2,(H,14,15)
InChIKeyUYQDAXKAJTZOKS-UHFFFAOYSA-N
XLogP-0.66
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
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2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
CID 129319079
2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
pyridine-2,3-dicarboxylic acid
CID 1066
CID 119078369
CID 119078369
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid (CID 70182858) is 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(O)(CO)CCO.
What is the InChIKey of 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is UYQDAXKAJTZOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-5-3-10(16,6-13)8-7(9(14)15)2-1-4-11-8/h1-2,4,12-13,16H,3,5-6H2,(H,14,15).
What are the key properties of 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid?
2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70182858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).