(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one

C15H10ClFN2O — CID 123939394

IUPAC(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
SMILESC=c1cc2[nH]c(=O)/c(=C/c3cccc(Cl)c3F)c-2c[nH]1
InChIInChI=1S/C15H10ClFN2O/c1-8-5-13-11(7-18-8)10(15(20)19-13)6-9-3-2-4-12(16)14(9)17/h2-7,18H,1H2,(H,19,20)/b10-6+
InChIKeyOZQMCBYFXQPMKC-UXBLZVDNSA-N
MW288.71 g/mol
LogP1.84
Rot. Bonds1

About (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one

(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one (PubChem CID 123939394) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
PubChem CID123939394
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one
SMILESC=c1cc2[nH]c(=O)/c(=C/c3cccc(Cl)c3F)c-2c[nH]1
InChIInChI=1S/C15H10ClFN2O/c1-8-5-13-11(7-18-8)10(15(20)19-13)6-9-3-2-4-12(16)14(9)17/h2-7,18H,1H2,(H,19,20)/b10-6+
InChIKeyOZQMCBYFXQPMKC-UXBLZVDNSA-N
XLogP1.84
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one (CID 123939394) is (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one is C=c1cc2[nH]c(=O)/c(=C/c3cccc(Cl)c3F)c-2c[nH]1.
What is the InChIKey of (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one?
The InChIKey is OZQMCBYFXQPMKC-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-8-5-13-11(7-18-8)10(15(20)19-13)6-9-3-2-4-12(16)14(9)17/h2-7,18H,1H2,(H,19,20)/b10-6+.
What are the key properties of (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one?
(3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one has a molecular weight of 288.71 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-chloro-2-fluorophenyl)methylidene]-6-methylidene-1,5-dihydropyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 123939394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).