7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one

C21H13F2NO3 — CID 1277363

IUPAC7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2cc(OCc3ccc(F)cc3F)ccc2cc1-c1ccccn1
InChIInChI=1S/C21H13F2NO3/c22-15-6-4-14(18(23)10-15)12-26-16-7-5-13-9-17(19-3-1-2-8-24-19)21(25)27-20(13)11-16/h1-11H,12H2
InChIKeyMDIXPAFNENGCCO-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.71
Rot. Bonds4

About 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one

7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one (PubChem CID 1277363) has the molecular formula C21H13F2NO3 and a molecular weight of 365.34 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one
PubChem CID1277363
Molecular FormulaC21H13F2NO3
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2cc(OCc3ccc(F)cc3F)ccc2cc1-c1ccccn1
InChIInChI=1S/C21H13F2NO3/c22-15-6-4-14(18(23)10-15)12-26-16-7-5-13-9-17(19-3-1-2-8-24-19)21(25)27-20(13)11-16/h1-11H,12H2
InChIKeyMDIXPAFNENGCCO-UHFFFAOYSA-N
XLogP4.71
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one (CID 1277363) is 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one is O=c1oc2cc(OCc3ccc(F)cc3F)ccc2cc1-c1ccccn1.
What is the InChIKey of 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one?
The InChIKey is MDIXPAFNENGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO3/c22-15-6-4-14(18(23)10-15)12-26-16-7-5-13-9-17(19-3-1-2-8-24-19)21(25)27-20(13)11-16/h1-11H,12H2.
What are the key properties of 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one?
7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one has a molecular weight of 365.34 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)methoxy]-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 1277363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).