2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine

C11H7BrCl3N3 — CID 114001533

IUPAC2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H7BrCl3N3/c12-6-1-2-8(10(15)9(6)14)18-11-7(16)3-5(13)4-17-11/h1-4H,16H2,(H,17,18)
InChIKeyIGOPFUGVKHTJTN-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.13
Rot. Bonds2

About 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine

2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine (PubChem CID 114001533) has the molecular formula C11H7BrCl3N3 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
PubChem CID114001533
Molecular FormulaC11H7BrCl3N3
Molecular Weight367.46 g/mol
Exact Mass364.89
IUPAC Name2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H7BrCl3N3/c12-6-1-2-8(10(15)9(6)14)18-11-7(16)3-5(13)4-17-11/h1-4H,16H2,(H,17,18)
InChIKeyIGOPFUGVKHTJTN-UHFFFAOYSA-N
XLogP5.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine 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

4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine?
The IUPAC name of 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine (CID 114001533) is 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine is Nc1cc(Cl)cnc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine?
The InChIKey is IGOPFUGVKHTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl3N3/c12-6-1-2-8(10(15)9(6)14)18-11-7(16)3-5(13)4-17-11/h1-4H,16H2,(H,17,18).
What are the key properties of 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine?
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine has a molecular weight of 367.46 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine is sourced from PubChem (CID 114001533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).