2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde

C19H13BrN4O — CID 118664172

IUPAC2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde
SMILESO=CCc1cccc(-c2ccc3cn(-c4cccc(Br)n4)nc3c2)n1
InChIInChI=1S/C19H13BrN4O/c20-18-5-2-6-19(22-18)24-12-14-8-7-13(11-17(14)23-24)16-4-1-3-15(21-16)9-10-25/h1-8,10-12H,9H2
InChIKeyMHJIEZKZGTZZHE-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.99
Rot. Bonds4

About 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde

2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde (PubChem CID 118664172) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde
PubChem CID118664172
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde
SMILESO=CCc1cccc(-c2ccc3cn(-c4cccc(Br)n4)nc3c2)n1
InChIInChI=1S/C19H13BrN4O/c20-18-5-2-6-19(22-18)24-12-14-8-7-13(11-17(14)23-24)16-4-1-3-15(21-16)9-10-25/h1-8,10-12H,9H2
InChIKeyMHJIEZKZGTZZHE-UHFFFAOYSA-N
XLogP3.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde?
The IUPAC name of 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde (CID 118664172) is 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde is O=CCc1cccc(-c2ccc3cn(-c4cccc(Br)n4)nc3c2)n1.
What is the InChIKey of 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde?
The InChIKey is MHJIEZKZGTZZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-18-5-2-6-19(22-18)24-12-14-8-7-13(11-17(14)23-24)16-4-1-3-15(21-16)9-10-25/h1-8,10-12H,9H2.
What are the key properties of 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde?
2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde has a molecular weight of 393.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(6-bromo-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 118664172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).