(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone

C16H12BrNO2 — CID 21489269

IUPAC(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
SMILESCCc1oc2ccc(Br)cc2c1C(=O)c1ccncc1
InChIInChI=1S/C16H12BrNO2/c1-2-13-15(16(19)10-5-7-18-8-6-10)12-9-11(17)3-4-14(12)20-13/h3-9H,2H2,1H3
InChIKeyPSAZRCUOVITLAG-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.38
Rot. Bonds3

About (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone

(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone (PubChem CID 21489269) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
PubChem CID21489269
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
SMILESCCc1oc2ccc(Br)cc2c1C(=O)c1ccncc1
InChIInChI=1S/C16H12BrNO2/c1-2-13-15(16(19)10-5-7-18-8-6-10)12-9-11(17)3-4-14(12)20-13/h3-9H,2H2,1H3
InChIKeyPSAZRCUOVITLAG-UHFFFAOYSA-N
XLogP4.38
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone?
The IUPAC name of (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone (CID 21489269) is (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone is CCc1oc2ccc(Br)cc2c1C(=O)c1ccncc1.
What is the InChIKey of (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone?
The InChIKey is PSAZRCUOVITLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-2-13-15(16(19)10-5-7-18-8-6-10)12-9-11(17)3-4-14(12)20-13/h3-9H,2H2,1H3.
What are the key properties of (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone?
(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone has a molecular weight of 330.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 21489269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).