2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine

C11H9BrFN3 — CID 107596616

IUPAC2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cccnc1Nc1c(F)cccc1Br
InChIInChI=1S/C11H9BrFN3/c12-7-3-1-4-8(13)10(7)16-11-9(14)5-2-6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyOMCWIPQDMAYWAX-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.31
Rot. Bonds2

About 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine

2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine (PubChem CID 107596616) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
PubChem CID107596616
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cccnc1Nc1c(F)cccc1Br
InChIInChI=1S/C11H9BrFN3/c12-7-3-1-4-8(13)10(7)16-11-9(14)5-2-6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyOMCWIPQDMAYWAX-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

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Related Compounds

2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
CID 107596632
2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
CID 55129899
3-bromo-N-(2-fluorophenyl)pyridin-2-amine
CID 61373543
4-N-(2,6-difluorophenyl)pyrimidine-4,5-diamine
CID 79916614
2-N-[3-(2-fluorophenyl)phenyl]pyridine-2,3-diamine
CID 22724094
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
3-bromo-2-[(3-fluoro-2-pyridinyl)oxy]aniline
CID 81499825
2-N-(2-bromo-6-fluorophenyl)-6-ethoxypyridine-2,5-diamine
CID 107596678

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine (CID 107596616) is 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine is Nc1cccnc1Nc1c(F)cccc1Br.
What is the InChIKey of 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is OMCWIPQDMAYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-7-3-1-4-8(13)10(7)16-11-9(14)5-2-6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine?
2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-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-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 107596616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).