6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine

C13H12BrN3O3 — CID 79841922

IUPAC6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(N)n1
InChIInChI=1S/C13H12BrN3O3/c1-8-5-9(14)6-11(17(18)19)13(8)20-7-10-3-2-4-12(15)16-10/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyVROVTZYNFKTWCK-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.22
Rot. Bonds4

About 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine

6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 79841922) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID79841922
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(N)n1
InChIInChI=1S/C13H12BrN3O3/c1-8-5-9(14)6-11(17(18)19)13(8)20-7-10-3-2-4-12(15)16-10/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyVROVTZYNFKTWCK-UHFFFAOYSA-N
XLogP3.22
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.22
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

4-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79844951
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
3-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-2,4-dichloropyridine
CID 165114514
3-bromo-2-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]thiophene
CID 79844968
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
3-(4-bromo-2-methyl-6-nitrophenoxy)propane-1-sulfonamide
CID 79843683
5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844533
1-(4-bromo-2-methyl-6-nitrophenoxy)propan-2-amine
CID 102689396
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844534
2-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 80606234
[5-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614326
4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 62464439

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine (CID 79841922) is 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine is Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(N)n1.
What is the InChIKey of 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is VROVTZYNFKTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-8-5-9(14)6-11(17(18)19)13(8)20-7-10-3-2-4-12(15)16-10/h2-6H,7H2,1H3,(H2,15,16).
What are the key properties of 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine?
6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 338.16 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79841922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).