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

C15H11BrFN3 — CID 23068728

IUPAC2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccccn2)c1Br
InChIInChI=1S/C15H11BrFN3/c1-20-15(16)13(12-4-2-3-9-18-12)14(19-20)10-5-7-11(17)8-6-10/h2-9H,1H3
InChIKeyWSVWBULNANWKLD-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.05
Rot. Bonds2

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

2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (PubChem CID 23068728) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
PubChem CID23068728
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccccn2)c1Br
InChIInChI=1S/C15H11BrFN3/c1-20-15(16)13(12-4-2-3-9-18-12)14(19-20)10-5-7-11(17)8-6-10/h2-9H,1H3
InChIKeyWSVWBULNANWKLD-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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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492
4-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879605
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The IUPAC name of 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine (CID 23068728) is 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The canonical SMILES for 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is Cn1nc(-c2ccc(F)cc2)c(-c2ccccn2)c1Br.
What is the InChIKey of 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
The InChIKey is WSVWBULNANWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c1-20-15(16)13(12-4-2-3-9-18-12)14(19-20)10-5-7-11(17)8-6-10/h2-9H,1H3.
What are the key properties of 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine?
2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-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 2-[5-bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine is sourced from PubChem (CID 23068728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).