(2,4-dibromo-3-nitrophenyl)methanamine

C7H6Br2N2O2 — CID 171015045

IUPAC(2,4-dibromo-3-nitrophenyl)methanamine
SMILESNCc1ccc(Br)c([N+](=O)[O-])c1Br
InChIInChI=1S/C7H6Br2N2O2/c8-5-2-1-4(3-10)6(9)7(5)11(12)13/h1-2H,3,10H2
InChIKeyNTPCUYNXJQKILY-UHFFFAOYSA-N
MW309.95 g/mol
LogP2.58
Rot. Bonds2

About (2,4-dibromo-3-nitrophenyl)methanamine

(2,4-dibromo-3-nitrophenyl)methanamine (PubChem CID 171015045) has the molecular formula C7H6Br2N2O2 and a molecular weight of 309.95 g/mol. Its IUPAC name is (2,4-dibromo-3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2,4-dibromo-3-nitrophenyl)methanamine
PubChem CID171015045
Molecular FormulaC7H6Br2N2O2
Molecular Weight309.95 g/mol
Exact Mass307.88
IUPAC Name(2,4-dibromo-3-nitrophenyl)methanamine
SMILESNCc1ccc(Br)c([N+](=O)[O-])c1Br
InChIInChI=1S/C7H6Br2N2O2/c8-5-2-1-4(3-10)6(9)7(5)11(12)13/h1-2H,3,10H2
InChIKeyNTPCUYNXJQKILY-UHFFFAOYSA-N
XLogP2.58
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 52.58
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

[2-bromo-3-nitro-4-(trifluoromethyl)phenyl]methanamine
CID 171011627
1,2,4-tribromo-3-nitrobenzene
CID 118837685
[2-bromo-4-nitro-3-(trifluoromethyl)phenyl]methanamine
CID 171011831
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
(3-bromo-2-nitro-4-pyridinyl)methanamine
CID 118840021
3-(aminomethyl)-4-bromo-2-nitrobenzonitrile
CID 171014583
(3-bromo-5-methoxy-2-nitrophenyl)methanamine
CID 171018977
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
2-(4-bromo-2-cyano-3-nitrophenyl)acetic acid
CID 118823200
methyl 2-(3,4-dibromo-2-nitrophenyl)acetate
CID 171022761
1-(3,6-dibromo-2-nitrophenyl)ethanone
CID 171005207
3-bromo-6-methyl-2-nitroaniline
CID 84726344

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromo-3-nitrophenyl)methanamine?
The IUPAC name of (2,4-dibromo-3-nitrophenyl)methanamine (CID 171015045) is (2,4-dibromo-3-nitrophenyl)methanamine.
What is the SMILES notation for (2,4-dibromo-3-nitrophenyl)methanamine?
The canonical SMILES for (2,4-dibromo-3-nitrophenyl)methanamine is NCc1ccc(Br)c([N+](=O)[O-])c1Br.
What is the InChIKey of (2,4-dibromo-3-nitrophenyl)methanamine?
The InChIKey is NTPCUYNXJQKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O2/c8-5-2-1-4(3-10)6(9)7(5)11(12)13/h1-2H,3,10H2.
What are the key properties of (2,4-dibromo-3-nitrophenyl)methanamine?
(2,4-dibromo-3-nitrophenyl)methanamine has a molecular weight of 309.95 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-3-nitrophenyl)methanamine is sourced from PubChem (CID 171015045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).