N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine

C15H12BrF3N2 — CID 106795988

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCC1Cc2ccccc21
InChIInChI=1S/C15H12BrF3N2/c16-11-6-13(15(17,18)19)14(21-8-11)20-7-10-5-9-3-1-2-4-12(9)10/h1-4,6,8,10H,5,7H2,(H,20,21)
InChIKeyWEQZNFJWIRYGDJ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.61
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795988) has the molecular formula C15H12BrF3N2 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795988
Molecular FormulaC15H12BrF3N2
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCC1Cc2ccccc21
InChIInChI=1S/C15H12BrF3N2/c16-11-6-13(15(17,18)19)14(21-8-11)20-7-10-5-9-3-1-2-4-12(9)10/h1-4,6,8,10H,5,7H2,(H,20,21)
InChIKeyWEQZNFJWIRYGDJ-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2-(methylamino)pyridine-3-carboxamide
CID 66407816
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 66416970
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-8-bromoisoquinolin-1-amine
CID 166382515
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine (CID 106795988) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WEQZNFJWIRYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2/c16-11-6-13(15(17,18)19)14(21-8-11)20-7-10-5-9-3-1-2-4-12(9)10/h1-4,6,8,10H,5,7H2,(H,20,21).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 357.17 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).