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

C11H8BrCl2N3 — CID 55188251

IUPAC5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8BrCl2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyBIDMWCPFZRKSIU-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.48
Rot. Bonds2

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

5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine (PubChem CID 55188251) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
PubChem CID55188251
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC Name5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8BrCl2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyBIDMWCPFZRKSIU-UHFFFAOYSA-N
XLogP4.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine (CID 55188251) is 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine?
The InChIKey is BIDMWCPFZRKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17).
What are the key properties of 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine?
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine has a molecular weight of 333.02 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 55188251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).