2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid

C11H15ClN2O4 — CID 54998875

IUPAC2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
SMILESCOCC(O)CN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H15ClN2O4/c1-14(5-8(15)6-18-2)10-4-7(11(16)17)3-9(12)13-10/h3-4,8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWUJHHSHTOLZDFH-UHFFFAOYSA-N
MW274.70 g/mol
LogP0.88
Rot. Bonds6

About 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid (PubChem CID 54998875) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
PubChem CID54998875
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
SMILESCOCC(O)CN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H15ClN2O4/c1-14(5-8(15)6-18-2)10-4-7(11(16)17)3-9(12)13-10/h3-4,8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWUJHHSHTOLZDFH-UHFFFAOYSA-N
XLogP0.88
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 55000783
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
2-chloro-6-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61446979
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
1-methoxy-3-[methyl-(4-methylquinolin-2-yl)amino]propan-2-ol
CID 71996713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid (CID 54998875) is 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid is COCC(O)CN(C)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid?
The InChIKey is WUJHHSHTOLZDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-14(5-8(15)6-18-2)10-4-7(11(16)17)3-9(12)13-10/h3-4,8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid has a molecular weight of 274.70 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 54998875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).