6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine

C11H10BrFN4 — CID 104775528

IUPAC6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccc(F)c(Br)c2)nc1N
InChIInChI=1S/C11H10BrFN4/c12-7-5-6(1-2-8(7)13)16-10-4-3-9(14)11(15)17-10/h1-5H,14H2,(H3,15,16,17)
InChIKeyOAPYAXGCSDJVHC-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.89
Rot. Bonds2

About 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine

6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine (PubChem CID 104775528) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
PubChem CID104775528
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccc(F)c(Br)c2)nc1N
InChIInChI=1S/C11H10BrFN4/c12-7-5-6(1-2-8(7)13)16-10-4-3-9(14)11(15)17-10/h1-5H,14H2,(H3,15,16,17)
InChIKeyOAPYAXGCSDJVHC-UHFFFAOYSA-N
XLogP2.89
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine
CID 107643324
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
6-N-pyridin-4-ylpyridine-2,3,6-triamine
CID 157043315
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine (CID 104775528) is 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine is Nc1ccc(Nc2ccc(F)c(Br)c2)nc1N.
What is the InChIKey of 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine?
The InChIKey is OAPYAXGCSDJVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c12-7-5-6(1-2-8(7)13)16-10-4-3-9(14)11(15)17-10/h1-5H,14H2,(H3,15,16,17).
What are the key properties of 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine?
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine has a molecular weight of 297.13 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 104775528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).