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

C10H10BrFN2O3 — CID 66111877

IUPAC[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1N1CC(CO)C1
InChIInChI=1S/C10H10BrFN2O3/c11-7-1-10(14(16)17)9(2-8(7)12)13-3-6(4-13)5-15/h1-2,6,15H,3-5H2
InChIKeyQWWHQILFSRLRIG-UHFFFAOYSA-N
MW305.10 g/mol
LogP1.92
Rot. Bonds3

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

[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol (PubChem CID 66111877) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol
PubChem CID66111877
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1N1CC(CO)C1
InChIInChI=1S/C10H10BrFN2O3/c11-7-1-10(14(16)17)9(2-8(7)12)13-3-6(4-13)5-15/h1-2,6,15H,3-5H2
InChIKeyQWWHQILFSRLRIG-UHFFFAOYSA-N
XLogP1.92
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 51.92
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'}

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Related Compounds

[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 66112465
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-3-yl]methanol
CID 116739630
[4-(4-bromo-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779458
2-[1-(5-bromo-4-fluoro-2-nitrophenyl)pyrrolidin-3-yl]acetic acid
CID 116736648
[4-(5-bromo-4-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779438
(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
1-(4-bromo-5-fluoro-2-nitrophenyl)-N-methylpiperidin-3-amine
CID 66110101
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
CID 106750084
2-[1-(5-fluoro-4-iodo-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 66086945
methyl 1-(4-bromo-5-fluoro-2-nitrophenyl)piperidine-4-carboxylate
CID 66110126
1-(4-bromo-5-fluoro-2-nitrophenyl)-4-chloropyrrolidin-2-one
CID 168688998

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol (CID 66111877) is [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol is O=[N+]([O-])c1cc(Br)c(F)cc1N1CC(CO)C1.
What is the InChIKey of [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol?
The InChIKey is QWWHQILFSRLRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-7-1-10(14(16)17)9(2-8(7)12)13-3-6(4-13)5-15/h1-2,6,15H,3-5H2.
What are the key properties of [1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol?
[1-(4-bromo-5-fluoro-2-nitrophenyl)azetidin-3-yl]methanol has a molecular weight of 305.10 g/mol, XLogP of 1.92, 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)azetidin-3-yl]methanol is sourced from PubChem (CID 66111877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).