4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine

C16H17NO — CID 10466775

IUPAC4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine
SMILESCOc1cccc2c1CC(Cc1ccncc1)C2
InChIInChI=1S/C16H17NO/c1-18-16-4-2-3-14-10-13(11-15(14)16)9-12-5-7-17-8-6-12/h2-8,13H,9-11H2,1H3
InChIKeyJWGVMBXLLOSDHC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine

4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine (PubChem CID 10466775) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine
PubChem CID10466775
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine
SMILESCOc1cccc2c1CC(Cc1ccncc1)C2
InChIInChI=1S/C16H17NO/c1-18-16-4-2-3-14-10-13(11-15(14)16)9-12-5-7-17-8-6-12/h2-8,13H,9-11H2,1H3
InChIKeyJWGVMBXLLOSDHC-UHFFFAOYSA-N
XLogP3.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine?
The IUPAC name of 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine (CID 10466775) is 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine?
The canonical SMILES for 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine is COc1cccc2c1CC(Cc1ccncc1)C2.
What is the InChIKey of 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine?
The InChIKey is JWGVMBXLLOSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-4-2-3-14-10-13(11-15(14)16)9-12-5-7-17-8-6-12/h2-8,13H,9-11H2,1H3.
What are the key properties of 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine?
4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine has a molecular weight of 239.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine is sourced from PubChem (CID 10466775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).