6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

C11H11ClN4O3 — CID 114256022

IUPAC6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2nc(Cl)ccc2C(=O)O)nn1C
InChIInChI=1S/C11H11ClN4O3/c1-16-9(19-2)5-8(15-16)14-10-6(11(17)18)3-4-7(12)13-10/h3-5H,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyFPFOCDVUVNQYTK-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.92
Rot. Bonds4

About 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114256022) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114256022
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2nc(Cl)ccc2C(=O)O)nn1C
InChIInChI=1S/C11H11ClN4O3/c1-16-9(19-2)5-8(15-16)14-10-6(11(17)18)3-4-7(12)13-10/h3-5H,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyFPFOCDVUVNQYTK-UHFFFAOYSA-N
XLogP1.92
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (CID 114256022) is 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is COc1cc(Nc2nc(Cl)ccc2C(=O)O)nn1C.
What is the InChIKey of 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is FPFOCDVUVNQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-16-9(19-2)5-8(15-16)14-10-6(11(17)18)3-4-7(12)13-10/h3-5H,1-2H3,(H,17,18)(H,13,14,15).
What are the key properties of 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 282.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114256022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).