(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile

C14H11BrN2O2S — CID 123140557

IUPAC(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(Br)s1
InChIInChI=1S/C14H11BrN2O2S/c1-3-17-13(18)10(6-9-4-5-12(15)20-9)8(2)11(7-16)14(17)19/h4-6,19H,2-3H2,1H3/b10-6-
InChIKeyHARZOWAZHXJRNJ-POHAHGRESA-N
MW351.23 g/mol
LogP1.51
Rot. Bonds2

About (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile

(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile (PubChem CID 123140557) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
PubChem CID123140557
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(Br)s1
InChIInChI=1S/C14H11BrN2O2S/c1-3-17-13(18)10(6-9-4-5-12(15)20-9)8(2)11(7-16)14(17)19/h4-6,19H,2-3H2,1H3/b10-6-
InChIKeyHARZOWAZHXJRNJ-POHAHGRESA-N
XLogP1.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(4-bromothiophen-2-yl)-2-cyano-N,N-diethylprop-2-enamide
CID 16250983
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 90039185
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 90039186
(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123318503
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
5-[(5-Bromothiophen-2-yl)methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 173534214
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17568073
(E)-3-(5-bromothiophen-2-yl)-N-butyl-2-cyanoprop-2-enamide
CID 18775925
(E)-3-(5-bromothiophen-2-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 18777944
N-[(5-bromothiophen-2-yl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 37667313
Propanedinitrile, 2-[5-[(5-bromo-2-thienyl)methylene]-3-ethyl-4-oxo-2-thiazolidinylidene]-
CID 41308359
CID 72084027
CID 72084027

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile (CID 123140557) is (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile is C=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(Br)s1.
What is the InChIKey of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
The InChIKey is HARZOWAZHXJRNJ-POHAHGRESA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-3-17-13(18)10(6-9-4-5-12(15)20-9)8(2)11(7-16)14(17)19/h4-6,19H,2-3H2,1H3/b10-6-.
What are the key properties of (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile?
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile has a molecular weight of 351.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).