5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

C11H15ClN2O3 — CID 114920020

IUPAC5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(CCO)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3-4-15)14-9-5-7(10(16)17)8(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyGLZHZMJTAJHTQD-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.01
Rot. Bonds5

About 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114920020) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID114920020
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(CCO)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3-4-15)14-9-5-7(10(16)17)8(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyGLZHZMJTAJHTQD-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
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CID 106329975
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
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5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
CID 114919822
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (CID 114920020) is 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is CC(C)(CCO)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is GLZHZMJTAJHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-11(2,3-4-15)14-9-5-7(10(16)17)8(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114920020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).