2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid

C10H14N2O3 — CID 62335652

IUPAC2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCC(O)CN(C)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7(13)6-12(2)9-8(10(14)15)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyVARVLTINGOANOY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.60
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid

2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 62335652) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID62335652
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCC(O)CN(C)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7(13)6-12(2)9-8(10(14)15)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyVARVLTINGOANOY-UHFFFAOYSA-N
XLogP0.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
CID 167844227
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 91651052
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
CID 114056115
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid (CID 62335652) is 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid is CC(O)CN(C)c1ncccc1C(=O)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is VARVLTINGOANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(13)6-12(2)9-8(10(14)15)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid?
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62335652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).