5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine

C15H11BrClN3 — CID 62772214

IUPAC5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine
SMILESClCc1cc(Br)cnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H11BrClN3/c16-14-6-12(7-17)15(18-9-14)20-10-13(8-19-20)11-4-2-1-3-5-11/h1-6,8-10H,7H2
InChIKeyLIJMPJQTQOFCRM-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.44
Rot. Bonds3

About 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine

5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine (PubChem CID 62772214) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine
PubChem CID62772214
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine
SMILESClCc1cc(Br)cnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H11BrClN3/c16-14-6-12(7-17)15(18-9-14)20-10-13(8-19-20)11-4-2-1-3-5-11/h1-6,8-10H,7H2
InChIKeyLIJMPJQTQOFCRM-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79534571
3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
CID 81234038
5-bromo-4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 104507188
1-[5-(chloromethyl)-2-methylphenyl]-4-phenylpyrazole
CID 105405941
2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine
CID 79073316
6-bromo-8-(4-phenylpyrazol-1-yl)imidazo[1,2-a]pyrazine
CID 79954506
7-[5-bromo-3-(chloromethyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63024548
1-[2-(bromomethyl)-4-fluorophenyl]-4-phenylpyrazole
CID 107086140
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927449
[5-chloro-4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80901909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine (CID 62772214) is 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine is ClCc1cc(Br)cnc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine?
The InChIKey is LIJMPJQTQOFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-14-6-12(7-17)15(18-9-14)20-10-13(8-19-20)11-4-2-1-3-5-11/h1-6,8-10H,7H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine?
5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine has a molecular weight of 348.63 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine is sourced from PubChem (CID 62772214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).