[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine

C12H10BrN3O3 — CID 103011231

IUPAC[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2cc([N+](=O)[O-])ccc2Br)nc1
InChIInChI=1S/C12H10BrN3O3/c13-10-3-2-9(16(17)18)5-11(10)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2
InChIKeyMJXDGELWNSFNQX-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.00
Rot. Bonds4

About [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine

[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine (PubChem CID 103011231) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
PubChem CID103011231
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2cc([N+](=O)[O-])ccc2Br)nc1
InChIInChI=1S/C12H10BrN3O3/c13-10-3-2-9(16(17)18)5-11(10)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2
InChIKeyMJXDGELWNSFNQX-UHFFFAOYSA-N
XLogP3.00
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633680
N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633522
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
[6-(3-chloro-4-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633382
1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235957

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine (CID 103011231) is [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine is NCc1ccc(Oc2cc([N+](=O)[O-])ccc2Br)nc1.
What is the InChIKey of [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine?
The InChIKey is MJXDGELWNSFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c13-10-3-2-9(16(17)18)5-11(10)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2.
What are the key properties of [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine?
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine has a molecular weight of 324.13 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 103011231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).