2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid

C17H10FN3O2 — CID 59477841

IUPAC2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cn(-c2cc(C(=O)O)c(F)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-15-8-20-16(6-13(15)17(22)23)21-9-12(7-19)14(10-21)11-4-2-1-3-5-11/h1-6,8-10H,(H,22,23)
InChIKeyGTMRGGTXMXDCOC-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid

2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 59477841) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid
PubChem CID59477841
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cn(-c2cc(C(=O)O)c(F)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-15-8-20-16(6-13(15)17(22)23)21-9-12(7-19)14(10-21)11-4-2-1-3-5-11/h1-6,8-10H,(H,22,23)
InChIKeyGTMRGGTXMXDCOC-UHFFFAOYSA-N
XLogP3.25
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid (CID 59477841) is 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid is N#Cc1cn(-c2cc(C(=O)O)c(F)cn2)cc1-c1ccccc1.
What is the InChIKey of 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is GTMRGGTXMXDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-15-8-20-16(6-13(15)17(22)23)21-9-12(7-19)14(10-21)11-4-2-1-3-5-11/h1-6,8-10H,(H,22,23).
What are the key properties of 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid?
2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid has a molecular weight of 307.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-phenylpyrrol-1-yl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 59477841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).