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

C9H11ClN2O3 — CID 63380049

IUPAC6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCO)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H11ClN2O3/c1-12(4-5-13)8-6(9(14)15)2-3-7(10)11-8/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyUQULNXDKBJFKPO-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.86
Rot. Bonds4

About 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 63380049) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID63380049
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCO)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H11ClN2O3/c1-12(4-5-13)8-6(9(14)15)2-3-7(10)11-8/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyUQULNXDKBJFKPO-UHFFFAOYSA-N
XLogP0.86
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55183616
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid (CID 63380049) is 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid is CN(CCO)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UQULNXDKBJFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-12(4-5-13)8-6(9(14)15)2-3-7(10)11-8/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 230.65 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).