5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine

C15H11BrFN3 — CID 168964997

IUPAC5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)ncc2Br)n1
InChIInChI=1S/C15H11BrFN3/c1-20-7-6-14(19-20)12-8-15(18-9-13(12)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyKEZJAEHSEUTPJZ-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.05
Rot. Bonds2

About 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine

5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine (PubChem CID 168964997) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
PubChem CID168964997
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)ncc2Br)n1
InChIInChI=1S/C15H11BrFN3/c1-20-7-6-14(19-20)12-8-15(18-9-13(12)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyKEZJAEHSEUTPJZ-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine (CID 168964997) is 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine is Cn1ccc(-c2cc(-c3ccc(F)cc3)ncc2Br)n1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is KEZJAEHSEUTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c1-20-7-6-14(19-20)12-8-15(18-9-13(12)16)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine?
5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 332.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 168964997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).