3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid

C11H15ClN2O4 — CID 106162707

IUPAC3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCC(CCO)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O4/c1-18-6-7(3-5-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7,15H,3,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyHYLCLSDQDQDPGQ-UHFFFAOYSA-N
MW274.70 g/mol
LogP1.24
Rot. Bonds7

About 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid

3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 106162707) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID106162707
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCC(CCO)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O4/c1-18-6-7(3-5-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7,15H,3,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyHYLCLSDQDQDPGQ-UHFFFAOYSA-N
XLogP1.24
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-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

3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106162711
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
CID 114145424
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
1-[(4-hydroxy-1-methoxybutan-2-yl)amino]isoquinolin-7-ol
CID 106157913
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 106162697

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid (CID 106162707) is 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid is COCC(CCO)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is HYLCLSDQDQDPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-18-6-7(3-5-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7,15H,3,5-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 274.70 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).