5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine

C13H11BrF3N3 — CID 103518284

IUPAC5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
SMILESCc1ccc(C(F)(F)F)cc1Nc1c(N)cncc1Br
InChIInChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-9(14)5-19-6-10(12)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPBBSUNVWOGGYRM-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.50
Rot. Bonds2

About 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine

5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine (PubChem CID 103518284) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
PubChem CID103518284
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
SMILESCc1ccc(C(F)(F)F)cc1Nc1c(N)cncc1Br
InChIInChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-9(14)5-19-6-10(12)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPBBSUNVWOGGYRM-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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Related Compounds

5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
4-iodo-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66480127
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
CID 114258679
4-amino-3-[2-methyl-5-(trifluoromethyl)anilino]benzonitrile
CID 104712103
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
3-chloro-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 104834692
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine (CID 103518284) is 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine is Cc1ccc(C(F)(F)F)cc1Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The InChIKey is PBBSUNVWOGGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-9(14)5-19-6-10(12)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-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-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).