5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid

C14H8FNO3S — CID 177308968

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(C(=O)O)s1
InChIInChI=1S/C14H8FNO3S/c15-7-1-3-11-9(5-7)10(13(17)16-11)6-8-2-4-12(20-8)14(18)19/h1-6H,(H,16,17)(H,18,19)/b10-6-
InChIKeyIZRYXQJTBMUQRC-POHAHGRESA-N
MW289.29 g/mol
LogP3.08
Rot. Bonds2

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid (PubChem CID 177308968) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid
PubChem CID177308968
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(C(=O)O)s1
InChIInChI=1S/C14H8FNO3S/c15-7-1-3-11-9(5-7)10(13(17)16-11)6-8-2-4-12(20-8)14(18)19/h1-6H,(H,16,17)(H,18,19)/b10-6-
InChIKeyIZRYXQJTBMUQRC-POHAHGRESA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(Thiophene-2-amido)benzoic acid
CID 643302
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
NEP inhibitor, 6k
CID 9797197
4-[[(3-Methyl-2-thienyl)carbonyl]amino]benzoic acid
CID 3236748
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid
CID 649392
4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxylic acid
CID 50941753
{4-[(2-Thienylcarbonyl)amino]phenyl}acetic acid
CID 888110
3-[(3-Fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 16012569
2-[(5-Methylthiophen-2-yl)methylamino]benzoic acid
CID 6492092
3-[2-Oxo-2-thiophen-2-yl-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one
CID 948464
2-(2-Thiophen-2-yl-acetylamino)-benzoic acid
CID 652212

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid (CID 177308968) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid is O=C1Nc2ccc(F)cc2/C1=C/c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid?
The InChIKey is IZRYXQJTBMUQRC-POHAHGRESA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-7-1-3-11-9(5-7)10(13(17)16-11)6-8-2-4-12(20-8)14(18)19/h1-6H,(H,16,17)(H,18,19)/b10-6-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 177308968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).