2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid

C17H10N2O2S — CID 45376372

IUPAC2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)ccn2)sc1-c1ccccc1
InChIInChI=1S/C17H10N2O2S/c18-10-13-9-15(14-8-12(17(20)21)6-7-19-14)22-16(13)11-4-2-1-3-5-11/h1-9H,(H,20,21)
InChIKeyOBSHALFDUOUCGA-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid

2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid (PubChem CID 45376372) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
PubChem CID45376372
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)ccn2)sc1-c1ccccc1
InChIInChI=1S/C17H10N2O2S/c18-10-13-9-15(14-8-12(17(20)21)6-7-19-14)22-16(13)11-4-2-1-3-5-11/h1-9H,(H,20,21)
InChIKeyOBSHALFDUOUCGA-UHFFFAOYSA-N
XLogP4.05
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid
CID 45376371
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-[4-(3-chlorophenyl)-3-cyanophenyl]pyridine-4-carboxylic acid
CID 125493551
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
CID 115113761
2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055132
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
2-phenylpyridine-4-carbonyl chloride
CID 139270869
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826784

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid (CID 45376372) is 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)ccn2)sc1-c1ccccc1.
What is the InChIKey of 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid?
The InChIKey is OBSHALFDUOUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c18-10-13-9-15(14-8-12(17(20)21)6-7-19-14)22-16(13)11-4-2-1-3-5-11/h1-9H,(H,20,21).
What are the key properties of 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid?
2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 45376372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).