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

C13H11BrF3N3 — CID 66481516

IUPAC5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ncc(Br)cc1N
InChIInChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-10(18)5-9(14)6-19-12/h2-6H,18H2,1H3,(H,19,20)
InChIKeyCSCDWDYLGNNIIN-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.50
Rot. Bonds2

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

5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 66481516) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
PubChem CID66481516
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ncc(Br)cc1N
InChIInChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-10(18)5-9(14)6-19-12/h2-6H,18H2,1H3,(H,19,20)
InChIKeyCSCDWDYLGNNIIN-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-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 66481516) is 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine is Cc1ccc(C(F)(F)F)cc1Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The InChIKey is CSCDWDYLGNNIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-7-2-3-8(13(15,16)17)4-11(7)20-12-10(18)5-9(14)6-19-12/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-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-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 66481516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).