5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine

C11H6BrF2N3O2 — CID 61375850

IUPAC5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1Nc1ccc(F)cc1F
InChIInChI=1S/C11H6BrF2N3O2/c12-6-3-10(17(18)19)11(15-5-6)16-9-2-1-7(13)4-8(9)14/h1-5H,(H,15,16)
InChIKeyWRIWYDCUQYYUEA-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine

5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine (PubChem CID 61375850) has the molecular formula C11H6BrF2N3O2 and a molecular weight of 330.09 g/mol. Its IUPAC name is 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
PubChem CID61375850
Molecular FormulaC11H6BrF2N3O2
Molecular Weight330.09 g/mol
Exact Mass328.96
IUPAC Name5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1Nc1ccc(F)cc1F
InChIInChI=1S/C11H6BrF2N3O2/c12-6-3-10(17(18)19)11(15-5-6)16-9-2-1-7(13)4-8(9)14/h1-5H,(H,15,16)
InChIKeyWRIWYDCUQYYUEA-UHFFFAOYSA-N
XLogP3.77
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.77
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'}

Analyze 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
6-N-(4-bromophenyl)-4-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533130
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
6-(2,5-difluoroanilino)-5-nitropyridine-3-carboxylic acid
CID 81441461
2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
CID 56724461
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
6-(4-fluoro-2-iodoanilino)-5-nitropyridine-3-carboxylic acid
CID 81447500
5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63462010
N-(2,4-difluorophenyl)-2,4,6-trinitroaniline
CID 21440770
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine (CID 61375850) is 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine?
The InChIKey is WRIWYDCUQYYUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2N3O2/c12-6-3-10(17(18)19)11(15-5-6)16-9-2-1-7(13)4-8(9)14/h1-5H,(H,15,16).
What are the key properties of 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine?
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine has a molecular weight of 330.09 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61375850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).