7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one

C15H13NO3 — CID 22033214

IUPAC7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(c1cccnc1)C2=O
InChIInChI=1S/C15H13NO3/c1-18-11-4-5-12-14(7-11)19-9-13(15(12)17)10-3-2-6-16-8-10/h2-8,13H,9H2,1H3
InChIKeyWQCKARHLBLXRSW-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.45
Rot. Bonds2

About 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one

7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 22033214) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID22033214
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(c1cccnc1)C2=O
InChIInChI=1S/C15H13NO3/c1-18-11-4-5-12-14(7-11)19-9-13(15(12)17)10-3-2-6-16-8-10/h2-8,13H,9H2,1H3
InChIKeyWQCKARHLBLXRSW-UHFFFAOYSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 22033214) is 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OCC(c1cccnc1)C2=O.
What is the InChIKey of 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is WQCKARHLBLXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-11-4-5-12-14(7-11)19-9-13(15(12)17)10-3-2-6-16-8-10/h2-8,13H,9H2,1H3.
What are the key properties of 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one?
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 22033214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).