2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine

C16H13BrFN3 — CID 58042030

IUPAC2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
SMILESCc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c1-10-3-6-15(11-8-19-21(2)9-11)20-16(10)13-5-4-12(17)7-14(13)18/h3-9H,1-2H3
InChIKeyYNZGDEQQJFTJTL-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.36
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine

2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine (PubChem CID 58042030) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
PubChem CID58042030
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
SMILESCc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c1-10-3-6-15(11-8-19-21(2)9-11)20-16(10)13-5-4-12(17)7-14(13)18/h3-9H,1-2H3
InChIKeyYNZGDEQQJFTJTL-UHFFFAOYSA-N
XLogP4.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine (CID 58042030) is 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine is Cc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is YNZGDEQQJFTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-10-3-6-15(11-8-19-21(2)9-11)20-16(10)13-5-4-12(17)7-14(13)18/h3-9H,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 346.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 58042030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).