2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol

C15H14BrNO — CID 104810033

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1Cc1cncc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-13-6-10(8-17-9-13)5-12-7-11-3-1-2-4-14(11)15(12)18/h1-4,6,8-9,12,15,18H,5,7H2
InChIKeyMAXDWDRMUMUSDT-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.29
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol

2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 104810033) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID104810033
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1Cc1cncc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-13-6-10(8-17-9-13)5-12-7-11-3-1-2-4-14(11)15(12)18/h1-4,6,8-9,12,15,18H,5,7H2
InChIKeyMAXDWDRMUMUSDT-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol (CID 104810033) is 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MAXDWDRMUMUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-13-6-10(8-17-9-13)5-12-7-11-3-1-2-4-14(11)15(12)18/h1-4,6,8-9,12,15,18H,5,7H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol?
2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 304.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 104810033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).