5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid

C10H9ClN4O2 — CID 114919233

IUPAC5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCn1cc(Nc2cc(C(=O)O)c(Cl)cn2)cn1
InChIInChI=1S/C10H9ClN4O2/c1-15-5-6(3-13-15)14-9-2-7(10(16)17)8(11)4-12-9/h2-5H,1H3,(H,12,14)(H,16,17)
InChIKeyARBUILAZVVRYPH-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114919233) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID114919233
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCn1cc(Nc2cc(C(=O)O)c(Cl)cn2)cn1
InChIInChI=1S/C10H9ClN4O2/c1-15-5-6(3-13-15)14-9-2-7(10(16)17)8(11)4-12-9/h2-5H,1H3,(H,12,14)(H,16,17)
InChIKeyARBUILAZVVRYPH-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid (CID 114919233) is 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid is Cn1cc(Nc2cc(C(=O)O)c(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ARBUILAZVVRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-5-6(3-13-15)14-9-2-7(10(16)17)8(11)4-12-9/h2-5H,1H3,(H,12,14)(H,16,17).
What are the key properties of 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).