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

C18H15Br2FN6 — CID 158636256

IUPAC5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine
SMILESCn1cc(F)c(-c2ccc(Br)cn2)n1.Cn1ccc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrFN3.C9H8BrN3/c1-14-5-7(11)9(13-14)8-3-2-6(10)4-12-8;1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-5H,1H3;2-6H,1H3
InChIKeyHZUQTXRYWZZWIG-UHFFFAOYSA-N
MW494.17 g/mol
LogP4.63
Rot. Bonds2

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

5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine (PubChem CID 158636256) has the molecular formula C18H15Br2FN6 and a molecular weight of 494.17 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine
PubChem CID158636256
Molecular FormulaC18H15Br2FN6
Molecular Weight494.17 g/mol
Exact Mass491.97
IUPAC Name5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine
SMILESCn1cc(F)c(-c2ccc(Br)cn2)n1.Cn1ccc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrFN3.C9H8BrN3/c1-14-5-7(11)9(13-14)8-3-2-6(10)4-12-8;1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-5H,1H3;2-6H,1H3
InChIKeyHZUQTXRYWZZWIG-UHFFFAOYSA-N
XLogP4.63
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.17
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US20230339900, Example 153
CID 162761020
2-(4-bromo-1H-pyrazol-3-yl)-5-fluoropyridine
CID 83126459
2-[5-(5-pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine
CID 340685
2-[1-[(2-Fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
CID 56598122
2,6-bis[(1H-pyrazol-1-yl)methyl]pyridine
CID 12975814
CID 70902535
CID 70902535
5-Bromo-6'-(1-methyl-1h-pyrazol-4-yl)-2,3'-bipyridine
CID 90182369
2-[5-Bromo-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine
CID 23068728
5-bromo-2-(1-(2-fluorobenzyl)-5-(pyridin-2-yl)-1H-pyrazol-3-yl)pyridine
CID 56598922
5-Bromo-2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
CID 56598924
2-[1-(3-Bromo-5-fluorophenyl)pyrazol-3-yl]pyridine
CID 57795280
2-(4-Bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
CID 58042030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine (CID 158636256) is 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine is Cn1cc(F)c(-c2ccc(Br)cn2)n1.Cn1ccc(-c2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is HZUQTXRYWZZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3.C9H8BrN3/c1-14-5-7(11)9(13-14)8-3-2-6(10)4-12-8;1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-5H,1H3;2-6H,1H3.
What are the key properties of 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine?
5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 494.17 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-1-methylpyrazol-3-yl)pyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 158636256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).