2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide

C14H11ClN4O — CID 90095737

IUPAC2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide
SMILESNC(=O)Cn1ncc2ccc(-c3cccnc3Cl)cc21
InChIInChI=1S/C14H11ClN4O/c15-14-11(2-1-5-17-14)9-3-4-10-7-18-19(8-13(16)20)12(10)6-9/h1-7H,8H2,(H2,16,20)
InChIKeyJDERMMWGZBTBAW-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.24
Rot. Bonds3

About 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide

2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide (PubChem CID 90095737) 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-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide
PubChem CID90095737
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide
SMILESNC(=O)Cn1ncc2ccc(-c3cccnc3Cl)cc21
InChIInChI=1S/C14H11ClN4O/c15-14-11(2-1-5-17-14)9-3-4-10-7-18-19(8-13(16)20)12(10)6-9/h1-7H,8H2,(H2,16,20)
InChIKeyJDERMMWGZBTBAW-UHFFFAOYSA-N
XLogP2.24
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide?
The IUPAC name of 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide (CID 90095737) is 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide.
What is the SMILES notation for 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide?
The canonical SMILES for 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide is NC(=O)Cn1ncc2ccc(-c3cccnc3Cl)cc21.
What is the InChIKey of 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide?
The InChIKey is JDERMMWGZBTBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-14-11(2-1-5-17-14)9-3-4-10-7-18-19(8-13(16)20)12(10)6-9/h1-7H,8H2,(H2,16,20).
What are the key properties of 2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide?
2-[6-(2-chloro-3-pyridinyl)indazol-1-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-1-yl]acetamide is sourced from PubChem (CID 90095737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).