4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile

C11H5Br2FN2 — CID 14623211

IUPAC4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)[nH]c(Br)c1Br
InChIInChI=1S/C11H5Br2FN2/c12-9-8(5-15)10(16-11(9)13)6-1-3-7(14)4-2-6/h1-4,16H
InChIKeyQZDNSKFGUWNBFG-UHFFFAOYSA-N
MW343.98 g/mol
LogP4.22
Rot. Bonds1

About 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile

4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 14623211) has the molecular formula C11H5Br2FN2 and a molecular weight of 343.98 g/mol. Its IUPAC name is 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID14623211
Molecular FormulaC11H5Br2FN2
Molecular Weight343.98 g/mol
Exact Mass341.88
IUPAC Name4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)[nH]c(Br)c1Br
InChIInChI=1S/C11H5Br2FN2/c12-9-8(5-15)10(16-11(9)13)6-1-3-7(14)4-2-6/h1-4,16H
InChIKeyQZDNSKFGUWNBFG-UHFFFAOYSA-N
XLogP4.22
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 124928035
5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010126
5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile
CID 82373801
1-(4-bromophenyl)-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 71501817
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-(4-fluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143295028
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
2-(4-chlorophenyl)-4,5-bis(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 11024245
6-(4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 71530939
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
3-(4-fluorophenyl)-5-hydroxybenzonitrile
CID 53219839

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile (CID 14623211) is 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is QZDNSKFGUWNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2FN2/c12-9-8(5-15)10(16-11(9)13)6-1-3-7(14)4-2-6/h1-4,16H.
What are the key properties of 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 343.98 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 14623211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).