N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C11H8BrF3N2S — CID 60745100

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccc(Br)s2)nc1
InChIInChI=1S/C11H8BrF3N2S/c12-9-3-2-8(18-9)6-17-10-4-1-7(5-16-10)11(13,14)15/h1-5H,6H2,(H,16,17)
InChIKeyNXQQZRQEAKQQFQ-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.54
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60745100) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60745100
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccc(Br)s2)nc1
InChIInChI=1S/C11H8BrF3N2S/c12-9-3-2-8(18-9)6-17-10-4-1-7(5-16-10)11(13,14)15/h1-5H,6H2,(H,16,17)
InChIKeyNXQQZRQEAKQQFQ-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-5-(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

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 60745100) is N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCc2ccc(Br)s2)nc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NXQQZRQEAKQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-9-3-2-8(18-9)6-17-10-4-1-7(5-16-10)11(13,14)15/h1-5H,6H2,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 337.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60745100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).