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

C15H11BrFN3 — CID 90240870

IUPAC4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccncc1
InChIInChI=1S/C15H11BrFN3/c1-20-15(11-6-8-18-9-7-11)13(16)14(19-20)10-2-4-12(17)5-3-10/h2-9H,1H3
InChIKeyFWKVTNFSDVQJON-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.05
Rot. Bonds2

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

4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine (PubChem CID 90240870) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
PubChem CID90240870
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccncc1
InChIInChI=1S/C15H11BrFN3/c1-20-15(11-6-8-18-9-7-11)13(16)14(19-20)10-2-4-12(17)5-3-10/h2-9H,1H3
InChIKeyFWKVTNFSDVQJON-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 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine (CID 90240870) is 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine is Cn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccncc1.
What is the InChIKey of 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine?
The InChIKey is FWKVTNFSDVQJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c1-20-15(11-6-8-18-9-7-11)13(16)14(19-20)10-2-4-12(17)5-3-10/h2-9H,1H3.
What are the key properties of 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine?
4-[4-bromo-5-(4-fluorophenyl)-2-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 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 90240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).