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

C10H14N2O3 — CID 82187670

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCN(CCO)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12(5-6-13)7-9-8(10(14)15)3-2-4-11-9/h2-4,13H,5-7H2,1H3,(H,14,15)
InChIKeyQAVNICBFBXAQFF-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.20
Rot. Bonds5

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

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 82187670) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID82187670
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCN(CCO)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12(5-6-13)7-9-8(10(14)15)3-2-4-11-9/h2-4,13H,5-7H2,1H3,(H,14,15)
InChIKeyQAVNICBFBXAQFF-UHFFFAOYSA-N
XLogP0.20
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
CID 114198835
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide
CID 114230990
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
CID 114198495
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]pyrimidin-5-yl]benzoic acid
CID 127245220
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid (CID 82187670) is 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid is CN(CCO)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is QAVNICBFBXAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(5-6-13)7-9-8(10(14)15)3-2-4-11-9/h2-4,13H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82187670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).