2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one

C16H13FN2O3 — CID 137288934

IUPAC2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3ccc(O)c(F)c3)c2o1
InChIInChI=1S/C16H13FN2O3/c1-19(2)14-8-13(21)10-5-6-18-15(16(10)22-14)9-3-4-12(20)11(17)7-9/h3-8,20H,1-2H3
InChIKeyOUFJRQLLPNYBTA-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.77
Rot. Bonds2

About 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one

2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 137288934) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID137288934
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3ccc(O)c(F)c3)c2o1
InChIInChI=1S/C16H13FN2O3/c1-19(2)14-8-13(21)10-5-6-18-15(16(10)22-14)9-3-4-12(20)11(17)7-9/h3-8,20H,1-2H3
InChIKeyOUFJRQLLPNYBTA-UHFFFAOYSA-N
XLogP2.77
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one (CID 137288934) is 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one is CN(C)c1cc(=O)c2ccnc(-c3ccc(O)c(F)c3)c2o1.
What is the InChIKey of 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is OUFJRQLLPNYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-19(2)14-8-13(21)10-5-6-18-15(16(10)22-14)9-3-4-12(20)11(17)7-9/h3-8,20H,1-2H3.
What are the key properties of 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one?
2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 300.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(3-fluoro-4-hydroxyphenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 137288934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).