[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol

C11H12BrFN2O3 — CID 66112465

IUPAC[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1N1CCC(CO)C1
InChIInChI=1S/C11H12BrFN2O3/c12-8-3-11(15(17)18)10(4-9(8)13)14-2-1-7(5-14)6-16/h3-4,7,16H,1-2,5-6H2
InChIKeyGRYJSIJCFVRCAQ-UHFFFAOYSA-N
MW319.13 g/mol
LogP2.32
Rot. Bonds3

About [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol

[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol (PubChem CID 66112465) has the molecular formula C11H12BrFN2O3 and a molecular weight of 319.13 g/mol. Its IUPAC name is [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol
PubChem CID66112465
Molecular FormulaC11H12BrFN2O3
Molecular Weight319.13 g/mol
Exact Mass318.00
IUPAC Name[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1N1CCC(CO)C1
InChIInChI=1S/C11H12BrFN2O3/c12-8-3-11(15(17)18)10(4-9(8)13)14-2-1-7(5-14)6-16/h3-4,7,16H,1-2,5-6H2
InChIKeyGRYJSIJCFVRCAQ-UHFFFAOYSA-N
XLogP2.32
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]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

[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol
CID 66111877
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-3-yl]methanol
CID 116739630
2-[1-(5-bromo-4-fluoro-2-nitrophenyl)pyrrolidin-3-yl]acetic acid
CID 116736648
(3R)-1-(4-bromo-5-fluoro-2-nitrophenyl)-N-ethyl-N-methylpyrrolidin-3-amine
CID 137377188
[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]-methylcarbamic acid
CID 137377154
N-[[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-4-yl]methyl]ethanamine
CID 116739573
1-(4-bromo-5-fluoro-2-nitrophenyl)-N-methylpiperidin-3-amine
CID 66110101
methyl 1-(4-bromo-5-fluoro-2-nitrophenyl)piperidine-4-carboxylate
CID 66110126
[4-(4-bromo-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779458
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanamine
CID 103594143
1-(4-bromo-5-fluoro-2-nitrophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369910

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol (CID 66112465) is [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol is O=[N+]([O-])c1cc(Br)c(F)cc1N1CCC(CO)C1.
What is the InChIKey of [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is GRYJSIJCFVRCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3/c12-8-3-11(15(17)18)10(4-9(8)13)14-2-1-7(5-14)6-16/h3-4,7,16H,1-2,5-6H2.
What are the key properties of [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 319.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66112465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).