3-(2-pyridin-4-ylethynyl)-2H-indazole

C14H9N3 — CID 42606077

IUPAC3-(2-pyridin-4-ylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccncc1
InChIInChI=1S/C14H9N3/c1-2-4-13-12(3-1)14(17-16-13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,(H,16,17)
InChIKeySHPLHKPOBQVQPG-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.36
Rot. Bonds

About 3-(2-pyridin-4-ylethynyl)-2H-indazole

3-(2-pyridin-4-ylethynyl)-2H-indazole (PubChem CID 42606077) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethynyl)-2H-indazole.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethynyl)-2H-indazole
PubChem CID42606077
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name3-(2-pyridin-4-ylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccncc1
InChIInChI=1S/C14H9N3/c1-2-4-13-12(3-1)14(17-16-13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,(H,16,17)
InChIKeySHPLHKPOBQVQPG-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethynyl)-2H-indazole?
The IUPAC name of 3-(2-pyridin-4-ylethynyl)-2H-indazole (CID 42606077) is 3-(2-pyridin-4-ylethynyl)-2H-indazole.
What is the SMILES notation for 3-(2-pyridin-4-ylethynyl)-2H-indazole?
The canonical SMILES for 3-(2-pyridin-4-ylethynyl)-2H-indazole is C(#Cc1[nH]nc2ccccc12)c1ccncc1.
What is the InChIKey of 3-(2-pyridin-4-ylethynyl)-2H-indazole?
The InChIKey is SHPLHKPOBQVQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-13-12(3-1)14(17-16-13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,(H,16,17).
What are the key properties of 3-(2-pyridin-4-ylethynyl)-2H-indazole?
3-(2-pyridin-4-ylethynyl)-2H-indazole has a molecular weight of 219.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethynyl)-2H-indazole is sourced from PubChem (CID 42606077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).