7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one

C15H13NO3 — CID 72846544

IUPAC7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)cn1
InChIInChI=1S/C15H13NO3/c1-18-15-5-3-11(9-16-15)10-2-4-12-13(17)6-7-19-14(12)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyQQGHYVBLCRYFID-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.72
Rot. Bonds2

About 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one

7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one (PubChem CID 72846544) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
PubChem CID72846544
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)cn1
InChIInChI=1S/C15H13NO3/c1-18-15-5-3-11(9-16-15)10-2-4-12-13(17)6-7-19-14(12)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyQQGHYVBLCRYFID-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one (CID 72846544) is 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one is COc1ccc(-c2ccc3c(c2)OCCC3=O)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one?
The InChIKey is QQGHYVBLCRYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-15-5-3-11(9-16-15)10-2-4-12-13(17)6-7-19-14(12)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one?
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 72846544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).