6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H11BrF3N3O — CID 102717970

IUPAC6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOc1ccc(Br)cc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H11BrF3N3O/c1-21-10-3-2-8(14)6-9(10)19-12-5-7(13(15,16)17)4-11(18)20-12/h2-6H,1H3,(H3,18,19,20)
InChIKeyUYDABGRJLRXTDV-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.20
Rot. Bonds3

About 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717970) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717970
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCOc1ccc(Br)cc1Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H11BrF3N3O/c1-21-10-3-2-8(14)6-9(10)19-12-5-7(13(15,16)17)4-11(18)20-12/h2-6H,1H3,(H3,18,19,20)
InChIKeyUYDABGRJLRXTDV-UHFFFAOYSA-N
XLogP4.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
4-N-(5-bromo-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747494
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
6-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717295
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717970) is 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is COc1ccc(Br)cc1Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is UYDABGRJLRXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-21-10-3-2-8(14)6-9(10)19-12-5-7(13(15,16)17)4-11(18)20-12/h2-6H,1H3,(H3,18,19,20).
What are the key properties of 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 362.15 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).