6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

C10H14N2O3 — CID 65034852

IUPAC6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(CO)CNc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-7(6-13)4-11-9-3-2-8(5-12-9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyWBGHNSCUVWIDIE-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.82
Rot. Bonds5

About 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 65034852) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID65034852
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(CO)CNc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-7(6-13)4-11-9-3-2-8(5-12-9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyWBGHNSCUVWIDIE-UHFFFAOYSA-N
XLogP0.82
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
CID 114132746
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189988

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (CID 65034852) is 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is CC(CO)CNc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WBGHNSCUVWIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(6-13)4-11-9-3-2-8(5-12-9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 65034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).