2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine

C11H8BrF2N3 — CID 107608978

IUPAC2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2cc(F)c(Br)cc2F)nc1
InChIInChI=1S/C11H8BrF2N3/c12-7-3-9(14)10(4-8(7)13)17-11-2-1-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyYKNBEQMDNULIBB-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.45
Rot. Bonds2

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

2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine (PubChem CID 107608978) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
PubChem CID107608978
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2cc(F)c(Br)cc2F)nc1
InChIInChI=1S/C11H8BrF2N3/c12-7-3-9(14)10(4-8(7)13)17-11-2-1-6(15)5-16-11/h1-5H,15H2,(H,16,17)
InChIKeyYKNBEQMDNULIBB-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
3-N-(4-bromo-2,5-difluorophenyl)-5-fluorobenzene-1,3-diamine
CID 107608961
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
4-N-(4-bromo-2,5-difluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107608342
6-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carbothioamide
CID 107592467
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667
N-(4-bromo-2-fluorophenyl)-5-chloropyridin-2-amine
CID 66218088
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
CID 102854796
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine (CID 107608978) is 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine is Nc1ccc(Nc2cc(F)c(Br)cc2F)nc1.
What is the InChIKey of 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine?
The InChIKey is YKNBEQMDNULIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-7-3-9(14)10(4-8(7)13)17-11-2-1-6(15)5-16-11/h1-5H,15H2,(H,16,17).
What are the key properties of 2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine?
2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine has a molecular weight of 300.11 g/mol, XLogP of 3.45, 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-2,5-difluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 107608978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).