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

C16H14BrN3 — CID 58042031

IUPAC2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
SMILESCc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3/c1-11-3-8-15(13-9-18-20(2)10-13)19-16(11)12-4-6-14(17)7-5-12/h3-10H,1-2H3
InChIKeyGDBQZRQFVWPZNO-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.22
Rot. Bonds2

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

2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine (PubChem CID 58042031) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
PubChem CID58042031
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine
SMILESCc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3/c1-11-3-8-15(13-9-18-20(2)10-13)19-16(11)12-4-6-14(17)7-5-12/h3-10H,1-2H3
InChIKeyGDBQZRQFVWPZNO-UHFFFAOYSA-N
XLogP4.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-bromophenyl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-2-methylpropan-1-ol
CID 90783304
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771794
6-bromo-7-methyl-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115404807
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
CID 58148330
CID 58148330
11-(1-methylpyrazol-4-yl)-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 145157569
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 141377477
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
CID 155277374

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine (CID 58042031) is 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine is Cc1ccc(-c2cnn(C)c2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is GDBQZRQFVWPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-3-8-15(13-9-18-20(2)10-13)19-16(11)12-4-6-14(17)7-5-12/h3-10H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine?
2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 328.21 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 58042031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).