1-(4-bromo-2-nitrophenyl)azetidin-3-amine

C9H10BrN3O2 — CID 65250097

IUPAC1-(4-bromo-2-nitrophenyl)azetidin-3-amine
SMILESNC1CN(c2ccc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C9H10BrN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2
InChIKeyISBPZKHWNMHZBH-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.50
Rot. Bonds2

About 1-(4-bromo-2-nitrophenyl)azetidin-3-amine

1-(4-bromo-2-nitrophenyl)azetidin-3-amine (PubChem CID 65250097) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenyl)azetidin-3-amine
PubChem CID65250097
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-(4-bromo-2-nitrophenyl)azetidin-3-amine
SMILESNC1CN(c2ccc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C9H10BrN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2
InChIKeyISBPZKHWNMHZBH-UHFFFAOYSA-N
XLogP1.50
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.50
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-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
1-(4-bromo-2-nitrophenyl)-3-ethylpiperidin-4-amine
CID 81459176
4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3,5-dimethylpiperidine
CID 159465334
1-(2-bromo-4-nitrophenyl)azetidin-3-amine
CID 65250099
1-(4-bromo-2-nitrophenyl)piperidin-4-one
CID 24709544
1-(4-bromo-2-nitrophenyl)piperidin-3-ol
CID 55362682
1-[1-(4-bromo-2-nitrophenyl)pyrrolidin-3-yl]piperidine
CID 63175015
4-(3-aminoazetidin-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82992525
1-(4-bromo-2-nitrophenyl)-3-tert-butylpyrrolidine
CID 113418501
4-(4-bromo-2-nitrophenyl)-2-ethyl-1-methylpiperazine
CID 63603728
6-(4-bromo-2-nitrophenyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364359
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenyl)azetidin-3-amine?
The IUPAC name of 1-(4-bromo-2-nitrophenyl)azetidin-3-amine (CID 65250097) is 1-(4-bromo-2-nitrophenyl)azetidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2-nitrophenyl)azetidin-3-amine?
The canonical SMILES for 1-(4-bromo-2-nitrophenyl)azetidin-3-amine is NC1CN(c2ccc(Br)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-bromo-2-nitrophenyl)azetidin-3-amine?
The InChIKey is ISBPZKHWNMHZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-6-1-2-8(9(3-6)13(14)15)12-4-7(11)5-12/h1-3,7H,4-5,11H2.
What are the key properties of 1-(4-bromo-2-nitrophenyl)azetidin-3-amine?
1-(4-bromo-2-nitrophenyl)azetidin-3-amine has a molecular weight of 272.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenyl)azetidin-3-amine is sourced from PubChem (CID 65250097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).