5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

C14H11BrF4N2 — CID 106795925

IUPAC5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1CCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c15-10-7-11(14(17,18)19)13(21-8-10)20-6-5-9-3-1-2-4-12(9)16/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyPHLVXYRXVNTGBF-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795925) has the molecular formula C14H11BrF4N2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795925
Molecular FormulaC14H11BrF4N2
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1CCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c15-10-7-11(14(17,18)19)13(21-8-10)20-6-5-9-3-1-2-4-12(9)16/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyPHLVXYRXVNTGBF-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 107285856
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106795925) is 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is Fc1ccccc1CCNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PHLVXYRXVNTGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2/c15-10-7-11(14(17,18)19)13(21-8-10)20-6-5-9-3-1-2-4-12(9)16/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 363.15 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).