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

C14H13BrF3N3 — CID 104506785

IUPAC3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccc(C(F)(F)F)cc2)c1Br
InChIInChI=1S/C14H13BrF3N3/c1-8-11(19)7-21-13(12(8)15)20-6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,21)
InChIKeyACGVIWIDAQPYOS-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.37
Rot. Bonds3

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

3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine (PubChem CID 104506785) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
PubChem CID104506785
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccc(C(F)(F)F)cc2)c1Br
InChIInChI=1S/C14H13BrF3N3/c1-8-11(19)7-21-13(12(8)15)20-6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,21)
InChIKeyACGVIWIDAQPYOS-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
3-bromo-4-methyl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,5-diamine
CID 104506499
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine (CID 104506785) is 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine is Cc1c(N)cnc(NCc2ccc(C(F)(F)F)cc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The InChIKey is ACGVIWIDAQPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-8-11(19)7-21-13(12(8)15)20-6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7H,6,19H2,1H3,(H,20,21).
What are the key properties of 3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine has a molecular weight of 360.18 g/mol, XLogP of 4.37, 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-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine is sourced from PubChem (CID 104506785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).