2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid

C15H9N3O2S — CID 59478129

IUPAC2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cn(-c2cc(C(=O)O)ccn2)cc1-c1cccs1
InChIInChI=1S/C15H9N3O2S/c16-7-11-8-18(9-12(11)13-2-1-5-21-13)14-6-10(15(19)20)3-4-17-14/h1-6,8-9H,(H,19,20)
InChIKeyIKIPCEARFRPOFX-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid

2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid (PubChem CID 59478129) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid
PubChem CID59478129
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cn(-c2cc(C(=O)O)ccn2)cc1-c1cccs1
InChIInChI=1S/C15H9N3O2S/c16-7-11-8-18(9-12(11)13-2-1-5-21-13)14-6-10(15(19)20)3-4-17-14/h1-6,8-9H,(H,19,20)
InChIKeyIKIPCEARFRPOFX-UHFFFAOYSA-N
XLogP3.17
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Cyano-4-phenylpyrrol-1-yl)pyridine-4-carboxylic acid
CID 25052195
2-[3-Cyano-4-(cyclohexen-1-yl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477557
2-[3-Cyano-4-(2-methylphenyl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477892
2-[3-Cyano-4-(3-methylphenyl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477912
2-[3-Cyano-4-(4-methylphenyl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477979
2-[3-[(5Z)-5-[[4-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]pyridine-4-carboxylic acid
CID 58644340
2-(3-Cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid
CID 59477841
2-[3-[5-[[4-(3,4-Difluorophenyl)thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]pyridine-4-carboxylic acid
CID 72380850
1-Thieno[3,2-c]pyridin-4-yl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 61632493
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid
CID 105381719
3-Fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid
CID 105381881
3-Fluoro-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 105381917

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid (CID 59478129) is 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid is N#Cc1cn(-c2cc(C(=O)O)ccn2)cc1-c1cccs1.
What is the InChIKey of 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is IKIPCEARFRPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c16-7-11-8-18(9-12(11)13-2-1-5-21-13)14-6-10(15(19)20)3-4-17-14/h1-6,8-9H,(H,19,20).
What are the key properties of 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid?
2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 59478129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).