2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine

C16H17NO2 — CID 97130017

IUPAC2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(C[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C16H17NO2/c1-18-15-6-7-17-14(10-15)9-12-8-13-4-2-3-5-16(13)19-11-12/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyAUICZFGEWMQHSF-GFCCVEGCSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds3

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

2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine (PubChem CID 97130017) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine.

Molecular Properties

Compound Name2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
PubChem CID97130017
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
SMILESCOc1ccnc(C[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C16H17NO2/c1-18-15-6-7-17-14(10-15)9-12-8-13-4-2-3-5-16(13)19-11-12/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyAUICZFGEWMQHSF-GFCCVEGCSA-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 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine?
The IUPAC name of 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine (CID 97130017) is 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine.
What is the SMILES notation for 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine?
The canonical SMILES for 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine is COc1ccnc(C[C@@H]2COc3ccccc3C2)c1.
What is the InChIKey of 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine?
The InChIKey is AUICZFGEWMQHSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-6-7-17-14(10-15)9-12-8-13-4-2-3-5-16(13)19-11-12/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine?
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine 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 2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine is sourced from PubChem (CID 97130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).