5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene

C20H16BrFN4 — CID 174703064

IUPAC5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene
SMILESCn1nc(-c2ccccn2)cc1-c1ccc(Br)cn1.Fc1ccccc1
InChIInChI=1S/C14H11BrN4.C6H5F/c1-19-14(12-6-5-10(15)9-17-12)8-13(18-19)11-4-2-3-7-16-11;7-6-4-2-1-3-5-6/h2-9H,1H3;1-5H
InChIKeyKNUKDGFIMDBXOE-UHFFFAOYSA-N
MW411.28 g/mol
LogP5.13
Rot. Bonds2

About 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene

5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene (PubChem CID 174703064) has the molecular formula C20H16BrFN4 and a molecular weight of 411.28 g/mol. Its IUPAC name is 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene.

Molecular Properties

Compound Name5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene
PubChem CID174703064
Molecular FormulaC20H16BrFN4
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene
SMILESCn1nc(-c2ccccn2)cc1-c1ccc(Br)cn1.Fc1ccccc1
InChIInChI=1S/C14H11BrN4.C6H5F/c1-19-14(12-6-5-10(15)9-17-12)8-13(18-19)11-4-2-3-7-16-11;7-6-4-2-1-3-5-6/h2-9H,1H3;1-5H
InChIKeyKNUKDGFIMDBXOE-UHFFFAOYSA-N
XLogP5.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
CID 56598924
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
CID 155809929
3-[5-(5-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]-2-methylcyclopent-2-en-1-one
CID 166306441
5-bromo-1-methyl-3-pyridin-2-ylindazole
CID 86700226
2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
CID 117260072
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
2-(4-bromo-2-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 174053381
2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
CID 83987390
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
5-bromopyridin-2-amine;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane
CID 157267616
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene?
The IUPAC name of 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene (CID 174703064) is 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene.
What is the SMILES notation for 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene?
The canonical SMILES for 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene is Cn1nc(-c2ccccn2)cc1-c1ccc(Br)cn1.Fc1ccccc1.
What is the InChIKey of 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene?
The InChIKey is KNUKDGFIMDBXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4.C6H5F/c1-19-14(12-6-5-10(15)9-17-12)8-13(18-19)11-4-2-3-7-16-11;7-6-4-2-1-3-5-6/h2-9H,1H3;1-5H.
What are the key properties of 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene?
5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene has a molecular weight of 411.28 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene is sourced from PubChem (CID 174703064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).