2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile

C12H11BrN4 — CID 62128553

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H11BrN4/c1-7-4-5-10(6-14)12(15-7)17-9(3)11(13)8(2)16-17/h4-5H,1-3H3
InChIKeyGOPZEYMLXLKMPO-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile (PubChem CID 62128553) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile
PubChem CID62128553
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H11BrN4/c1-7-4-5-10(6-14)12(15-7)17-9(3)11(13)8(2)16-17/h4-5H,1-3H3
InChIKeyGOPZEYMLXLKMPO-UHFFFAOYSA-N
XLogP2.83
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile (CID 62128553) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(-n2nc(C)c(Br)c2C)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile?
The InChIKey is GOPZEYMLXLKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-7-4-5-10(6-14)12(15-7)17-9(3)11(13)8(2)16-17/h4-5H,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile has a molecular weight of 291.15 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62128553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).