2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine

C14H9F3N2O — CID 115113737

IUPAC2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine
SMILESNc1ccnc(-c2cc3cccc(C(F)(F)F)c3o2)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-3-1-2-8-6-12(20-13(8)10)11-7-9(18)4-5-19-11/h1-7H,(H2,18,19)
InChIKeyFBPJHMHVPPLDMJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.10
Rot. Bonds1

About 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine

2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine (PubChem CID 115113737) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine
PubChem CID115113737
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine
SMILESNc1ccnc(-c2cc3cccc(C(F)(F)F)c3o2)c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-3-1-2-8-6-12(20-13(8)10)11-7-9(18)4-5-19-11/h1-7H,(H2,18,19)
InChIKeyFBPJHMHVPPLDMJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine?
The IUPAC name of 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine (CID 115113737) is 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine?
The canonical SMILES for 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine is Nc1ccnc(-c2cc3cccc(C(F)(F)F)c3o2)c1.
What is the InChIKey of 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine?
The InChIKey is FBPJHMHVPPLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)10-3-1-2-8-6-12(20-13(8)10)11-7-9(18)4-5-19-11/h1-7H,(H2,18,19).
What are the key properties of 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine?
2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-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 2-[7-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-4-amine is sourced from PubChem (CID 115113737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).