N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine

C11H7Cl2N3O2 — CID 4764041

IUPACN-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C11H7Cl2N3O2/c12-7-1-3-10(9(13)5-7)15-11-4-2-8(6-14-11)16(17)18/h1-6H,(H,14,15)
InChIKeyJYMXWANTEWVGPY-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.04
Rot. Bonds3

About N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine

N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine (PubChem CID 4764041) has the molecular formula C11H7Cl2N3O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
PubChem CID4764041
Molecular FormulaC11H7Cl2N3O2
Molecular Weight284.10 g/mol
Exact Mass282.99
IUPAC NameN-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C11H7Cl2N3O2/c12-7-1-3-10(9(13)5-7)15-11-4-2-8(6-14-11)16(17)18/h1-6H,(H,14,15)
InChIKeyJYMXWANTEWVGPY-UHFFFAOYSA-N
XLogP4.04
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.04
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 N-(2,4-dichlorophenyl)-5-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

N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28544299
N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
CID 3097917
4-N-(5-bromo-2-pyridinyl)-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531303
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N,2-dichloro-4-nitroaniline
CID 57242965
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
N-[2-(3-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 18194894
N-[3-[3-(2,4-dichlorophenyl)pyrrol-1-yl]propyl]-5-nitropyridin-2-amine
CID 141085826

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine (CID 4764041) is N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine?
The InChIKey is JYMXWANTEWVGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2/c12-7-1-3-10(9(13)5-7)15-11-4-2-8(6-14-11)16(17)18/h1-6H,(H,14,15).
What are the key properties of N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine?
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine has a molecular weight of 284.10 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 4764041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).