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

C12H10BrF3N2O — CID 106796023

IUPAC5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1ccco1
InChIInChI=1S/C12H10BrF3N2O/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyBCOLNEVNBBCFBJ-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.11
Rot. Bonds4

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

5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796023) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796023
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1ccco1
InChIInChI=1S/C12H10BrF3N2O/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyBCOLNEVNBBCFBJ-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-(furan-2-yl)ethyl]-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

3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
3-((5-Bromopyridin-2-yl)amino)-1-(3-(difluoromethoxy)phenyl)prop-2-en-1-one
CID 6211398
1-(5-Bromo-pyridin-2-yl)-3-(2-furan-2-yl-ethyl)-thiourea
CID 44342737
N-[2-(furan-2-yl)ethyl]pyridin-2-amine
CID 44410159
N-(2-furylmethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2989169
N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide
CID 52545411
5-bromo-N-(furan-2-ylmethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 172435655
N'-[5-(furan-2-yl)-2-pyridinyl]propane-1,3-diamine
CID 172436636
5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 17433430
N-[2-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 27770499
(1S)-2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-(furan-2-yl)ethanol
CID 97068282
(2S)-4-(3-bromo-5-methyl-2-pyridinyl)-2-(furan-2-yl)morpholine
CID 99841109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796023) is 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCc1ccco1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BCOLNEVNBBCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.12 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).