3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine

C9H11BrF3N3 — CID 104506832

IUPAC3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCC(F)(F)F)c1Br
InChIInChI=1S/C9H11BrF3N3/c1-5-6(14)4-16-8(7(5)10)15-3-2-9(11,12)13/h4H,2-3,14H2,1H3,(H,15,16)
InChIKeyFUXQGYGZSREKPG-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.10
Rot. Bonds3

About 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine (PubChem CID 104506832) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
PubChem CID104506832
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCC(F)(F)F)c1Br
InChIInChI=1S/C9H11BrF3N3/c1-5-6(14)4-16-8(7(5)10)15-3-2-9(11,12)13/h4H,2-3,14H2,1H3,(H,15,16)
InChIKeyFUXQGYGZSREKPG-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 104507040
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine (CID 104506832) is 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCCC(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine?
The InChIKey is FUXQGYGZSREKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c1-5-6(14)4-16-8(7(5)10)15-3-2-9(11,12)13/h4H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine has a molecular weight of 298.11 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).