(2-bromo-3-chloro-5-nitrophenyl)methanamine

C7H6BrClN2O2 — CID 171013968

IUPAC(2-bromo-3-chloro-5-nitrophenyl)methanamine
SMILESNCc1cc([N+](=O)[O-])cc(Cl)c1Br
InChIInChI=1S/C7H6BrClN2O2/c8-7-4(3-10)1-5(11(12)13)2-6(7)9/h1-2H,3,10H2
InChIKeyKTAFJEMXFLFHFD-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.47
Rot. Bonds2

About (2-bromo-3-chloro-5-nitrophenyl)methanamine

(2-bromo-3-chloro-5-nitrophenyl)methanamine (PubChem CID 171013968) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is (2-bromo-3-chloro-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-chloro-5-nitrophenyl)methanamine
PubChem CID171013968
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Name(2-bromo-3-chloro-5-nitrophenyl)methanamine
SMILESNCc1cc([N+](=O)[O-])cc(Cl)c1Br
InChIInChI=1S/C7H6BrClN2O2/c8-7-4(3-10)1-5(11(12)13)2-6(7)9/h1-2H,3,10H2
InChIKeyKTAFJEMXFLFHFD-UHFFFAOYSA-N
XLogP2.47
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.47
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-iodo-5-nitrophenyl)methanamine
CID 171018681
(3-chloro-2-methyl-5-nitrophenyl)methanamine
CID 130778123
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
3-(aminomethyl)-2-chloro-5-nitrobenzonitrile
CID 171015341
[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
CID 62099310
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
2-(3-aminopropyl)-6-bromo-4-nitrophenol
CID 170867456
2,6-bis[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-nitrophenol
CID 13064203
methyl 2-bromo-3-chloro-5-nitrobenzoate
CID 81445922
2-(aminomethyl)-4-nitrophenol
CID 2115073
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-chloro-5-nitrophenyl)methanamine?
The IUPAC name of (2-bromo-3-chloro-5-nitrophenyl)methanamine (CID 171013968) is (2-bromo-3-chloro-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-bromo-3-chloro-5-nitrophenyl)methanamine?
The canonical SMILES for (2-bromo-3-chloro-5-nitrophenyl)methanamine is NCc1cc([N+](=O)[O-])cc(Cl)c1Br.
What is the InChIKey of (2-bromo-3-chloro-5-nitrophenyl)methanamine?
The InChIKey is KTAFJEMXFLFHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c8-7-4(3-10)1-5(11(12)13)2-6(7)9/h1-2H,3,10H2.
What are the key properties of (2-bromo-3-chloro-5-nitrophenyl)methanamine?
(2-bromo-3-chloro-5-nitrophenyl)methanamine has a molecular weight of 265.49 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-chloro-5-nitrophenyl)methanamine is sourced from PubChem (CID 171013968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).