5-(6-chloro-3-pyridinyl)-1H-indazole

C12H8ClN3 — CID 57355194

IUPAC5-(6-chloro-3-pyridinyl)-1H-indazole
SMILESClc1ccc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C12H8ClN3/c13-12-4-2-9(6-14-12)8-1-3-11-10(5-8)7-15-16-11/h1-7H,(H,15,16)
InChIKeyYMHCGCMYFSRUQK-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 5-(6-chloro-3-pyridinyl)-1H-indazole

5-(6-chloro-3-pyridinyl)-1H-indazole (PubChem CID 57355194) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-1H-indazole
PubChem CID57355194
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name5-(6-chloro-3-pyridinyl)-1H-indazole
SMILESClc1ccc(-c2ccc3[nH]ncc3c2)cn1
InChIInChI=1S/C12H8ClN3/c13-12-4-2-9(6-14-12)8-1-3-11-10(5-8)7-15-16-11/h1-7H,(H,15,16)
InChIKeyYMHCGCMYFSRUQK-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(6-chloro-3-pyridinyl)-1H-indazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-1H-indazole (CID 57355194) is 5-(6-chloro-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-1H-indazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-1H-indazole is Clc1ccc(-c2ccc3[nH]ncc3c2)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-1H-indazole?
The InChIKey is YMHCGCMYFSRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-12-4-2-9(6-14-12)8-1-3-11-10(5-8)7-15-16-11/h1-7H,(H,15,16).
What are the key properties of 5-(6-chloro-3-pyridinyl)-1H-indazole?
5-(6-chloro-3-pyridinyl)-1H-indazole has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 57355194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).