(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C14H10BrNO2 — CID 115606037

IUPAC(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrNO2/c15-11-2-3-12(16-8-11)14(17)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8H,5-6H2
InChIKeyWNPLPTDFTZHXAH-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.01
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 115606037) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID115606037
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrNO2/c15-11-2-3-12(16-8-11)14(17)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8H,5-6H2
InChIKeyWNPLPTDFTZHXAH-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone 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

(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 114973436
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
CID 114988074
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
(3-bromophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
CID 10088060
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-2-pyridinyl)methanone
CID 79722939

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 115606037) is (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is WNPLPTDFTZHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-11-2-3-12(16-8-11)14(17)10-1-4-13-9(7-10)5-6-18-13/h1-4,7-8H,5-6H2.
What are the key properties of (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 304.14 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 115606037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).