1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one

C20H12F2N2O4 — CID 108634119

IUPAC1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccncc1)c1ccco1
InChIInChI=1S/C20H12F2N2O4/c21-12-3-4-13(22)14(10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H
InChIKeyITQZJWXMJVCNKD-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one

1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108634119) has the molecular formula C20H12F2N2O4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108634119
Molecular FormulaC20H12F2N2O4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccncc1)c1ccco1
InChIInChI=1S/C20H12F2N2O4/c21-12-3-4-13(22)14(10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H
InChIKeyITQZJWXMJVCNKD-UHFFFAOYSA-N
XLogP3.74
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633684
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
1-(2,5-difluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634141
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108633973
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
1-(1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594512
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639768
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776
1-(2,5-difluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639769
1-cyclopentyl-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643602
2-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 4242982

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108634119) is 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccncc1)c1ccco1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is ITQZJWXMJVCNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O4/c21-12-3-4-13(22)14(10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H.
What are the key properties of 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one?
1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 382.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108634119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).