2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol

C15H16N2O — CID 81319309

IUPAC2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
SMILESCc1ccc(C(O)C2NCc3ccccc32)nc1
InChIInChI=1S/C15H16N2O/c1-10-6-7-13(16-8-10)15(18)14-12-5-3-2-4-11(12)9-17-14/h2-8,14-15,17-18H,9H2,1H3
InChIKeyJZIZXSWEQNXBGQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.27
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol

2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol (PubChem CID 81319309) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
PubChem CID81319309
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
SMILESCc1ccc(C(O)C2NCc3ccccc32)nc1
InChIInChI=1S/C15H16N2O/c1-10-6-7-13(16-8-10)15(18)14-12-5-3-2-4-11(12)9-17-14/h2-8,14-15,17-18H,9H2,1H3
InChIKeyJZIZXSWEQNXBGQ-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol?
The IUPAC name of 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol (CID 81319309) is 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol is Cc1ccc(C(O)C2NCc3ccccc32)nc1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol?
The InChIKey is JZIZXSWEQNXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-6-7-13(16-8-10)15(18)14-12-5-3-2-4-11(12)9-17-14/h2-8,14-15,17-18H,9H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol?
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol has a molecular weight of 240.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 81319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).