6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid

C12H15ClN2O3 — CID 114096139

IUPAC6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC1OCCC1(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7-12(2,5-6-18-7)15-10-8(11(16)17)3-4-9(13)14-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJAXOFQFORNCLMJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.41
Rot. Bonds3

About 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid

6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114096139) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114096139
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC1OCCC1(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7-12(2,5-6-18-7)15-10-8(11(16)17)3-4-9(13)14-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJAXOFQFORNCLMJ-UHFFFAOYSA-N
XLogP2.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.41
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

4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214804
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid
CID 64923401
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164247
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 114219697
6-chloro-2-[(2-methylthiolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 80737913
5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 114096231
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid (CID 114096139) is 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid is CC1OCCC1(C)Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is JAXOFQFORNCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-12(2,5-6-18-7)15-10-8(11(16)17)3-4-9(13)14-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114096139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).