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

C11H8BrClFN3 — CID 79532378

IUPAC3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C11H8BrClFN3/c12-8-3-6(15)5-16-11(8)17-7-1-2-9(13)10(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyUUBNOBFBEDAEFX-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.96
Rot. Bonds2

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

3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine (PubChem CID 79532378) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
PubChem CID79532378
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C11H8BrClFN3/c12-8-3-6(15)5-16-11(8)17-7-1-2-9(13)10(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyUUBNOBFBEDAEFX-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

2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
1-N-(4-chloro-3-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54955427
3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643323
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine
CID 80652778
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
CID 93208845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine (CID 79532378) is 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine is Nc1cnc(Nc2ccc(Cl)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
The InChIKey is UUBNOBFBEDAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c12-8-3-6(15)5-16-11(8)17-7-1-2-9(13)10(14)4-7/h1-5H,15H2,(H,16,17).
What are the key properties of 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine?
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-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 3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).