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

C11H9BrFN3 — CID 29066900

IUPAC2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Br)cc2F)nc1
InChIInChI=1S/C11H9BrFN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyLOJOLUAWBMSSSJ-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.31
Rot. Bonds2

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

2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine (PubChem CID 29066900) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
PubChem CID29066900
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(Br)cc2F)nc1
InChIInChI=1S/C11H9BrFN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyLOJOLUAWBMSSSJ-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-5-chloropyridin-2-amine
CID 66218088
2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
CID 107608978
3-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 62590139
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
CID 66278195
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 65467733
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine (CID 29066900) is 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine is Nc1ccc(Nc2ccc(Br)cc2F)nc1.
What is the InChIKey of 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine?
The InChIKey is LOJOLUAWBMSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine?
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine has a molecular weight of 282.12 g/mol, XLogP of 3.31, 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-fluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 29066900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).