4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile

C10H11BrN2 — CID 130118635

IUPAC4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(Br)c(C#N)c(C)n1C1CC1
InChIInChI=1S/C10H11BrN2/c1-6-9(5-12)10(11)7(2)13(6)8-3-4-8/h8H,3-4H2,1-2H3
InChIKeyWNWYJYJNKAPILX-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.07
Rot. Bonds1

About 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile

4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile (PubChem CID 130118635) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile
PubChem CID130118635
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(Br)c(C#N)c(C)n1C1CC1
InChIInChI=1S/C10H11BrN2/c1-6-9(5-12)10(11)7(2)13(6)8-3-4-8/h8H,3-4H2,1-2H3
InChIKeyWNWYJYJNKAPILX-UHFFFAOYSA-N
XLogP3.07
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-1-(ethoxymethyl)-2-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 139221120
4-bromo-1,2,5-trimethyl-1H-pyrrole-3-carbonitrile
CID 74890567
4-Bromo-1-methyl-3,5-bis(trifluoromethyl)pyrrole-2-carbonitrile
CID 19767444
3-Bromo-1-(methoxymethyl)-4,5-bis(trifluoromethyl)pyrrole-2-carbonitrile
CID 20060404
3,4-Dibromo-5-(fluoromethyl)-1-methylpyrrole-2-carbonitrile
CID 67724001
1-Ethyl-2,4,5-tris(fluoromethyl)pyrrole-3-carbonitrile
CID 152323275
3,4-Dibromo-1-(fluoromethyl)-5-methylpyrrole-2-carbonitrile
CID 21459545
4-bromo-2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carbonitrile
CID 96455144
2-Bromo-1,5-dimethyl-4-(trifluoromethyl)pyrrole-3-carbonitrile
CID 162565653
2-[(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]propanedinitrile
CID 2321550
2-(2,3,4,5-Tetramethylpyrrol-1-yl)propanenitrile
CID 21438474
3,5-Dibromo-1-methylpyrrole-2,4-dicarbonitrile
CID 21459535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile (CID 130118635) is 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile is Cc1c(Br)c(C#N)c(C)n1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is WNWYJYJNKAPILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6-9(5-12)10(11)7(2)13(6)8-3-4-8/h8H,3-4H2,1-2H3.
What are the key properties of 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile?
4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 239.12 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-2,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 130118635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).