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

C15H12BrNO — CID 43161073

IUPAC(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1cncc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H12BrNO/c16-14-7-13(8-17-9-14)15(18)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2
InChIKeyXFUMILHNVFTCFV-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.56
Rot. Bonds2

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

(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 43161073) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID43161073
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1cncc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H12BrNO/c16-14-7-13(8-17-9-14)15(18)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2
InChIKeyXFUMILHNVFTCFV-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 113339578
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 107949659
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
1-(5-bromo-3-pyridinyl)ethanone
CID 820423

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 43161073) is (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone is O=C(c1cncc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is XFUMILHNVFTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-14-7-13(8-17-9-14)15(18)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2.
What are the key properties of (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 302.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 43161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).