5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine

C14H9F3N2O — CID 115113707

IUPAC5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc3c(C(F)(F)F)cccc3o2)cn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-2-1-3-11-9(10)6-12(20-11)8-4-5-13(18)19-7-8/h1-7H,(H2,18,19)
InChIKeyZLRJLMPEVYCTHR-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.10
Rot. Bonds1

About 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine

5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine (PubChem CID 115113707) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
PubChem CID115113707
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc3c(C(F)(F)F)cccc3o2)cn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-2-1-3-11-9(10)6-12(20-11)8-4-5-13(18)19-7-8/h1-7H,(H2,18,19)
InChIKeyZLRJLMPEVYCTHR-UHFFFAOYSA-N
XLogP4.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
CID 115110001
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
CID 115113640
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
5-[7-(trifluoromethyl)-1H-indol-2-yl]pyridin-2-amine
CID 115113639
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765
1-[4-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-one
CID 117194219
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
5-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119003597
5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 151009318

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine (CID 115113707) is 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine is Nc1ccc(-c2cc3c(C(F)(F)F)cccc3o2)cn1.
What is the InChIKey of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine?
The InChIKey is ZLRJLMPEVYCTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)10-2-1-3-11-9(10)6-12(20-11)8-4-5-13(18)19-7-8/h1-7H,(H2,18,19).
What are the key properties of 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine?
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine has a molecular weight of 278.23 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine is sourced from PubChem (CID 115113707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).