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

C15H14BrNO2 — CID 107684507

IUPAC5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3cncc(Br)c3)ccc21
InChIInChI=1S/C15H14BrNO2/c16-12-5-10(7-17-8-12)9-19-13-2-3-14-11(6-13)1-4-15(14)18/h2-3,5-8,15,18H,1,4,9H2
InChIKeyMWKKSBHRFDQHSW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.40
Rot. Bonds3

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

5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684507) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684507
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3cncc(Br)c3)ccc21
InChIInChI=1S/C15H14BrNO2/c16-12-5-10(7-17-8-12)9-19-13-2-3-14-11(6-13)1-4-15(14)18/h2-3,5-8,15,18H,1,4,9H2
InChIKeyMWKKSBHRFDQHSW-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684678
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79698408
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107684568
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684731
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684791
(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091307
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684507) is 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(OCc3cncc(Br)c3)ccc21.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MWKKSBHRFDQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-12-5-10(7-17-8-12)9-19-13-2-3-14-11(6-13)1-4-15(14)18/h2-3,5-8,15,18H,1,4,9H2.
What are the key properties of 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 320.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).