4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine

C16H17NO2 — CID 97269713

IUPAC4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
SMILESCOc1ccc2c(c1)OC[C@H](Cc1ccncc1)C2
InChIInChI=1S/C16H17NO2/c1-18-15-3-2-14-9-13(11-19-16(14)10-15)8-12-4-6-17-7-5-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m1/s1
InChIKeyXGCPCJIJXLRLLA-CYBMUJFWSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds3

About 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine

4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine (PubChem CID 97269713) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
PubChem CID97269713
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
SMILESCOc1ccc2c(c1)OC[C@H](Cc1ccncc1)C2
InChIInChI=1S/C16H17NO2/c1-18-15-3-2-14-9-13(11-19-16(14)10-15)8-12-4-6-17-7-5-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m1/s1
InChIKeyXGCPCJIJXLRLLA-CYBMUJFWSA-N
XLogP2.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine?
The IUPAC name of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine (CID 97269713) is 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine is COc1ccc2c(c1)OC[C@H](Cc1ccncc1)C2.
What is the InChIKey of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine?
The InChIKey is XGCPCJIJXLRLLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-3-2-14-9-13(11-19-16(14)10-15)8-12-4-6-17-7-5-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine?
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine has a molecular weight of 255.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine is sourced from PubChem (CID 97269713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).