3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine

C11H6Br3FN2 — CID 104778643

IUPAC3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2ncc(Br)cc2Br)cc1Br
InChIInChI=1S/C11H6Br3FN2/c12-6-3-9(14)11(16-5-6)17-7-1-2-10(15)8(13)4-7/h1-5H,(H,16,17)
InChIKeyKRSLQORCGHAUOW-UHFFFAOYSA-N
MW424.89 g/mol
LogP5.25
Rot. Bonds2

About 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine

3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine (PubChem CID 104778643) has the molecular formula C11H6Br3FN2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
PubChem CID104778643
Molecular FormulaC11H6Br3FN2
Molecular Weight424.89 g/mol
Exact Mass421.81
IUPAC Name3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(Nc2ncc(Br)cc2Br)cc1Br
InChIInChI=1S/C11H6Br3FN2/c12-6-3-9(14)11(16-5-6)17-7-1-2-10(15)8(13)4-7/h1-5H,(H,16,17)
InChIKeyKRSLQORCGHAUOW-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
5-bromo-N-(3-bromo-4-fluorophenyl)pyridin-3-amine
CID 104780278
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
3,5-dibromo-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 113413846
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
CID 114250505

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine (CID 104778643) is 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine is Fc1ccc(Nc2ncc(Br)cc2Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine?
The InChIKey is KRSLQORCGHAUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3FN2/c12-6-3-9(14)11(16-5-6)17-7-1-2-10(15)8(13)4-7/h1-5H,(H,16,17).
What are the key properties of 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine?
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine has a molecular weight of 424.89 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 104778643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).