[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol

C22H9BrF10N2O — CID 10531421

IUPAC[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccc(C(c2ccc(Br)[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H9BrF10N2O/c23-8-4-3-6(35-8)9(10-12(24)16(28)20(32)17(29)13(10)25)5-1-2-7(34-5)22(36)11-14(26)18(30)21(33)19(31)15(11)27/h1-4,9,22,34-36H
InChIKeyAHOLLSIONHUPSS-UHFFFAOYSA-N
MW587.21 g/mol
LogP6.76
Rot. Bonds5

About [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol

[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 10531421) has the molecular formula C22H9BrF10N2O and a molecular weight of 587.21 g/mol. Its IUPAC name is [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID10531421
Molecular FormulaC22H9BrF10N2O
Molecular Weight587.21 g/mol
Exact Mass585.97
IUPAC Name[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccc(C(c2ccc(Br)[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H9BrF10N2O/c23-8-4-3-6(35-8)9(10-12(24)16(28)20(32)17(29)13(10)25)5-1-2-7(34-5)22(36)11-14(26)18(30)21(33)19(31)15(11)27/h1-4,9,22,34-36H
InChIKeyAHOLLSIONHUPSS-UHFFFAOYSA-N
XLogP6.76
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.21
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
CID 10842465
(2,3,4,5,6-pentafluorophenyl)-[4-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanol
CID 134941752
[5-[(5-bromo-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 10837789
2,2,2-trifluoro-1-[4-phenyl-5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol
CID 71763966
2,2,2-trifluoro-1-[5-(4-phenylphenyl)-1H-pyrrol-2-yl]ethanol
CID 102103260
4,5-Bis(4-fluorophenyl)-alpha,alpha-di(trifluoromethyl)-1H-pyrrole-2-methanol
CID 12831594
4,5-Bis(4-fluorophenyl)-alpha-(trifluoromethyl)-1H-pyrrole-2-methanol
CID 13371359
1-(1H-indol-2-yl)-9-(2,3,4,5,6-pentafluorophenyl)decan-1-ol
CID 152188853
[5-[(E)-1,3-diphenylprop-2-enyl]-1H-pyrrol-2-yl]methanol
CID 57414298
[(5Z)-5-[[5-bromo-3-(4-iodophenyl)-1H-pyrrol-2-yl]methylidene]pyrrol-2-yl]-(4-methylphenyl)methanol
CID 134869851
[5-[(5-bromo-1H-pyrrol-2-yl)-(4-ethynylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 164679762
[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-iodophenyl)methanol
CID 10676482

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol (CID 10531421) is [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol is OC(c1ccc(C(c2ccc(Br)[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is AHOLLSIONHUPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H9BrF10N2O/c23-8-4-3-6(35-8)9(10-12(24)16(28)20(32)17(29)13(10)25)5-1-2-7(34-5)22(36)11-14(26)18(30)21(33)19(31)15(11)27/h1-4,9,22,34-36H.
What are the key properties of [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
[5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 587.21 g/mol, XLogP of 6.76, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-1H-pyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 10531421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).