5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H13BrClF3N2 — CID 106797124

IUPAC5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCl)C(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrClF3N2/c1-6(4-13)7(2)18-10-9(11(14,15)16)3-8(12)5-17-10/h3,5-7H,4H2,1-2H3,(H,17,18)
InChIKeyJHBKOWSNVYLCQP-UHFFFAOYSA-N
MW345.59 g/mol
LogP4.54
Rot. Bonds4

About 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106797124) has the molecular formula C11H13BrClF3N2 and a molecular weight of 345.59 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106797124
Molecular FormulaC11H13BrClF3N2
Molecular Weight345.59 g/mol
Exact Mass343.99
IUPAC Name5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCl)C(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrClF3N2/c1-6(4-13)7(2)18-10-9(11(14,15)16)3-8(12)5-17-10/h3,5-7H,4H2,1-2H3,(H,17,18)
InChIKeyJHBKOWSNVYLCQP-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106797124) is 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is CC(CCl)C(C)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JHBKOWSNVYLCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF3N2/c1-6(4-13)7(2)18-10-9(11(14,15)16)3-8(12)5-17-10/h3,5-7H,4H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 345.59 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106797124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).