4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine

C13H11BrF3N3 — CID 106747394

IUPAC4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCc1ccccc1Br
InChIInChI=1S/C13H11BrF3N3/c14-9-4-2-1-3-8(9)6-19-11-5-12(13(15,16)17)20-7-10(11)18/h1-5,7H,6,18H2,(H,19,20)
InChIKeySVVXLNCHICTMAY-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.06
Rot. Bonds3

About 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747394) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747394
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCc1ccccc1Br
InChIInChI=1S/C13H11BrF3N3/c14-9-4-2-1-3-8(9)6-19-11-5-12(13(15,16)17)20-7-10(11)18/h1-5,7H,6,18H2,(H,19,20)
InChIKeySVVXLNCHICTMAY-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747402
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747938
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
CID 114194887
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747394) is 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1NCc1ccccc1Br.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is SVVXLNCHICTMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c14-9-4-2-1-3-8(9)6-19-11-5-12(13(15,16)17)20-7-10(11)18/h1-5,7H,6,18H2,(H,19,20).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 346.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).