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

C11H8BrClFN3 — CID 61227501

IUPAC5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8BrClFN3/c12-6-3-10(15)11(16-5-6)17-7-1-2-9(14)8(13)4-7/h1-5H,15H2,(H,16,17)
InChIKeyUPGMJBLJJIXLEL-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.96
Rot. Bonds2

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

5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine (PubChem CID 61227501) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
PubChem CID61227501
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8BrClFN3/c12-6-3-10(15)11(16-5-6)17-7-1-2-9(14)8(13)4-7/h1-5H,15H2,(H,16,17)
InChIKeyUPGMJBLJJIXLEL-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine (CID 61227501) is 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is UPGMJBLJJIXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c12-6-3-10(15)11(16-5-6)17-7-1-2-9(14)8(13)4-7/h1-5H,15H2,(H,16,17).
What are the key properties of 5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine?
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 316.56 g/mol, XLogP of 3.96, 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-chloro-4-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 61227501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).