5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine

C13H12BrN3O2 — CID 114047534

IUPAC5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O2/c1-8-3-4-10(7-12(8)17(18)19)16-13-6-5-11(14)9(2)15-13/h3-7H,1-2H3,(H,15,16)
InChIKeyAYXLEMNSWIKBHD-UHFFFAOYSA-N
MW322.16 g/mol
LogP4.11
Rot. Bonds3

About 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine

5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine (PubChem CID 114047534) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
PubChem CID114047534
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O2/c1-8-3-4-10(7-12(8)17(18)19)16-13-6-5-11(14)9(2)15-13/h3-7H,1-2H3,(H,15,16)
InChIKeyAYXLEMNSWIKBHD-UHFFFAOYSA-N
XLogP4.11
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
5-bromo-N-(4-methyl-3-nitrophenyl)pyrimidin-4-amine
CID 66342408
5-bromo-1-methyl-3-(4-methyl-3-nitroanilino)pyrazin-2-one
CID 172525035
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-3-nitroaniline
CID 81436605
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
2-fluoro-4-(4-methyl-3-nitroanilino)benzoic acid
CID 107793349
N-[(2-bromophenyl)methyl]-4-methyl-3-nitroaniline
CID 43425307
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine (CID 114047534) is 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine is Cc1ccc(Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine?
The InChIKey is AYXLEMNSWIKBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-8-3-4-10(7-12(8)17(18)19)16-13-6-5-11(14)9(2)15-13/h3-7H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine?
5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine has a molecular weight of 322.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine is sourced from PubChem (CID 114047534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).