5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid

C11H15ClN2O3 — CID 79249861

IUPAC5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)C(CO)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-6(2)9(5-15)14-10-8(12)3-7(4-13-10)11(16)17/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyJCXMXYBDYUZIPK-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.86
Rot. Bonds5

About 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 79249861) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID79249861
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)C(CO)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-6(2)9(5-15)14-10-8(12)3-7(4-13-10)11(16)17/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyJCXMXYBDYUZIPK-UHFFFAOYSA-N
XLogP1.86
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]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

5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
3-chloro-4-[(1-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 79245289
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid (CID 79249861) is 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid is CC(C)C(CO)Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is JCXMXYBDYUZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-6(2)9(5-15)14-10-8(12)3-7(4-13-10)11(16)17/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79249861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).