5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine

C13H11BrF3N3 — CID 174645527

IUPAC5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(N)ccc1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-7-10(4-5-12(18)19-7)20-11-3-2-8(14)6-9(11)13(15,16)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyYVKBQIARBPKRKG-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.50
Rot. Bonds2

About 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine

5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine (PubChem CID 174645527) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine
PubChem CID174645527
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(N)ccc1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-7-10(4-5-12(18)19-7)20-11-3-2-8(14)6-9(11)13(15,16)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyYVKBQIARBPKRKG-UHFFFAOYSA-N
XLogP4.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine (CID 174645527) is 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine is Cc1nc(N)ccc1Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine?
The InChIKey is YVKBQIARBPKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-7-10(4-5-12(18)19-7)20-11-3-2-8(14)6-9(11)13(15,16)17/h2-6,20H,1H3,(H2,18,19).
What are the key properties of 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine?
5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine has a molecular weight of 346.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 174645527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).