5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

C14H14BrF3N2O — CID 106796117

IUPAC5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2ncc(Br)cc2C(F)(F)F)c(C)o1
InChIInChI=1S/C14H14BrF3N2O/c1-7-4-11(9(3)21-7)8(2)20-13-12(14(16,17)18)5-10(15)6-19-13/h4-6,8H,1-3H3,(H,19,20)
InChIKeyHRYUTRSMPVYCSO-UHFFFAOYSA-N
MW363.18 g/mol
LogP5.25
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796117) has the molecular formula C14H14BrF3N2O and a molecular weight of 363.18 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796117
Molecular FormulaC14H14BrF3N2O
Molecular Weight363.18 g/mol
Exact Mass362.02
IUPAC Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2ncc(Br)cc2C(F)(F)F)c(C)o1
InChIInChI=1S/C14H14BrF3N2O/c1-7-4-11(9(3)21-7)8(2)20-13-12(14(16,17)18)5-10(15)6-19-13/h4-6,8H,1-3H3,(H,19,20)
InChIKeyHRYUTRSMPVYCSO-UHFFFAOYSA-N
XLogP5.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.18
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
3-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 104507923
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796117) is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1cc(C(C)Nc2ncc(Br)cc2C(F)(F)F)c(C)o1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HRYUTRSMPVYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O/c1-7-4-11(9(3)21-7)8(2)20-13-12(14(16,17)18)5-10(15)6-19-13/h4-6,8H,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 363.18 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).