(2-bromo-5-nitrophenyl)methanamine

C7H7BrN2O2 — CID 59511923

IUPAC(2-bromo-5-nitrophenyl)methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C7H7BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,4,9H2
InChIKeyQPHPPTFIWCHIGZ-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.82
Rot. Bonds2

About (2-bromo-5-nitrophenyl)methanamine

(2-bromo-5-nitrophenyl)methanamine (PubChem CID 59511923) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is (2-bromo-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-nitrophenyl)methanamine
PubChem CID59511923
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name(2-bromo-5-nitrophenyl)methanamine
SMILESNCc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C7H7BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,4,9H2
InChIKeyQPHPPTFIWCHIGZ-UHFFFAOYSA-N
XLogP1.82
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromo-5-nitrophenyl)-N-methylmethanamine
CID 59315032
2-(aminomethyl)-4-nitrophenol
CID 2115073
(4-nitro-2-propylphenyl)methanamine
CID 152751762
ethyl 2-bromo-3-(2-bromo-5-nitrophenyl)propanoate
CID 83197179
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
2-[(2-bromophenyl)methyl]-4-nitrobenzenesulfonamide
CID 175587812
(2-bromo-3-chloro-5-nitrophenyl)methanamine
CID 171013968
(2-bromo-3-iodo-5-nitrophenyl)methanamine
CID 171018681
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
(2,4-dibromo-3-nitrophenyl)methanamine
CID 171015045
[4-[(2-bromo-4-nitrophenyl)methyl]oxan-4-yl]methanamine
CID 65395301
3-[(2-bromo-4-nitrophenyl)methylsulfonyl]propan-1-amine
CID 81187803

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-nitrophenyl)methanamine?
The IUPAC name of (2-bromo-5-nitrophenyl)methanamine (CID 59511923) is (2-bromo-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-bromo-5-nitrophenyl)methanamine?
The canonical SMILES for (2-bromo-5-nitrophenyl)methanamine is NCc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of (2-bromo-5-nitrophenyl)methanamine?
The InChIKey is QPHPPTFIWCHIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,4,9H2.
What are the key properties of (2-bromo-5-nitrophenyl)methanamine?
(2-bromo-5-nitrophenyl)methanamine has a molecular weight of 231.05 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-nitrophenyl)methanamine is sourced from PubChem (CID 59511923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).