2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide

C₁₄H₁₁ClN₄O — CID 90094852

About 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide

2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide (PubChem CID 90094852) has the molecular formula C₁₄H₁₁ClN₄O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
• PubChem CID: 90094852
• Molecular Formula: C₁₄H₁₁ClN₄O
• Molecular Weight: 286.72 g/mol
• Exact Mass: 286.06
• IUPAC Name: 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
• SMILES: NC(=O)Cn1cc2ccc(-c3cccnc3Cl)cc2n1
• InChI: InChI=1S/C14H11ClN4O/c15-14-11(2-1-5-17-14)9-3-4-10-7-19(8-13(16)20)18-12(10)6-9/h1-7H,8H2,(H2,16,20)
• InChIKey: MQHAOTFRKUPFHN-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 73.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.72
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The IUPAC name of 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide (CID 90094852) is 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide.

What is the SMILES notation for 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The canonical SMILES for 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide is NC(=O)Cn1cc2ccc(-c3cccnc3Cl)cc2n1.

What is the InChIKey of 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

The InChIKey is MQHAOTFRKUPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-14-11(2-1-5-17-14)9-3-4-10-7-19(8-13(16)20)18-12(10)6-9/h1-7H,8H2,(H2,16,20).

What are the key properties of 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide?

2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide has a molecular weight of 286.72 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide is sourced from PubChem (CID 90094852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90094852 — identifiers, structure, computed properties (public domain)

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