4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

C17H11BrN4 — CID 10150095

IUPAC4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESBrc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
InChIKeyDIDDNVPEZKJYOM-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.45
Rot. Bonds2

About 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 10150095) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
PubChem CID10150095
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESBrc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
InChIKeyDIDDNVPEZKJYOM-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (CID 10150095) is 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is Brc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.
What is the InChIKey of 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is DIDDNVPEZKJYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22).
What are the key properties of 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 351.21 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-bromo-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 10150095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).