(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one

C18H10Cl2N2O3 — CID 67559830

IUPAC(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncc(-c3ccco3)cc2/C1=C\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O3/c19-13-5-9(6-14(20)16(13)23)4-12-11-7-10(15-2-1-3-25-15)8-21-17(11)22-18(12)24/h1-8,23H,(H,21,22,24)/b12-4+
InChIKeyMNEOOEOBKBASOG-UUILKARUSA-N
MW373.20 g/mol
LogP4.85
Rot. Bonds2

About (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one

(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 67559830) has the molecular formula C18H10Cl2N2O3 and a molecular weight of 373.20 g/mol. Its IUPAC name is (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID67559830
Molecular FormulaC18H10Cl2N2O3
Molecular Weight373.20 g/mol
Exact Mass372.01
IUPAC Name(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncc(-c3ccco3)cc2/C1=C\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O3/c19-13-5-9(6-14(20)16(13)23)4-12-11-7-10(15-2-1-3-25-15)8-21-17(11)22-18(12)24/h1-8,23H,(H,21,22,24)/b12-4+
InChIKeyMNEOOEOBKBASOG-UUILKARUSA-N
XLogP4.85
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 67559789
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-3-carbonyl)-1H-indol-2-one
CID 54458166
5-benzoyl-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 54393078
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167
(5Z)-2-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 10598795
(5E)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126052456
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-4-carbonyl)-1H-indol-2-one
CID 54199648
(3Z)-5-(2-chloroacetyl)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 87889831
(3E)-3-(pyridin-3-ylmethylidene)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66779255
3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide
CID 46235884

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one (CID 67559830) is (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncc(-c3ccco3)cc2/C1=C\c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MNEOOEOBKBASOG-UUILKARUSA-N. The full InChI is InChI=1S/C18H10Cl2N2O3/c19-13-5-9(6-14(20)16(13)23)4-12-11-7-10(15-2-1-3-25-15)8-21-17(11)22-18(12)24/h1-8,23H,(H,21,22,24)/b12-4+.
What are the key properties of (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one?
(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 373.20 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 67559830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).