2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol

C15H15NO — CID 10263082

IUPAC2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC(Cc1ccncc1)C2
InChIInChI=1S/C15H15NO/c17-15-2-1-13-8-12(9-14(13)10-15)7-11-3-5-16-6-4-11/h1-6,10,12,17H,7-9H2
InChIKeyOQVIVKTTYYDAGR-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.74
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol

2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 10263082) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
PubChem CID10263082
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC(Cc1ccncc1)C2
InChIInChI=1S/C15H15NO/c17-15-2-1-13-8-12(9-14(13)10-15)7-11-3-5-16-6-4-11/h1-6,10,12,17H,7-9H2
InChIKeyOQVIVKTTYYDAGR-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol (CID 10263082) is 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CC(Cc1ccncc1)C2.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is OQVIVKTTYYDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-2-1-13-8-12(9-14(13)10-15)7-11-3-5-16-6-4-11/h1-6,10,12,17H,7-9H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 225.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 10263082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).