5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile

C11H5F3N2OS — CID 18778999

IUPAC5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(O)c(-c2ccc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-3-8(18-9)10-7(17)2-1-6(5-15)16-10/h1-4,17H
InChIKeyDPMKHNPAMYWQFR-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.41
Rot. Bonds1

About 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile

5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile (PubChem CID 18778999) has the molecular formula C11H5F3N2OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile
PubChem CID18778999
Molecular FormulaC11H5F3N2OS
Molecular Weight270.24 g/mol
Exact Mass270.01
IUPAC Name5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(O)c(-c2ccc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-3-8(18-9)10-7(17)2-1-6(5-15)16-10/h1-4,17H
InChIKeyDPMKHNPAMYWQFR-UHFFFAOYSA-N
XLogP3.41
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carboxylic acid
CID 18778997
[6-cyano-2-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882930
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133096320
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
cyclobutanamine;6-fluoro-5-hydroxypyridine-2-carbonitrile
CID 165143977
5-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 129319143
4-[5-cyano-2-(trifluoromethyl)-1-benzothiophen-7-yl]-2-hydroxybenzoic acid
CID 126667370
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096355
ethyl 2-(6-cyano-3-hydroxy-2-pyridinyl)acetate
CID 133097572

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile (CID 18778999) is 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile is N#Cc1ccc(O)c(-c2ccc(C(F)(F)F)s2)n1.
What is the InChIKey of 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile?
The InChIKey is DPMKHNPAMYWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2OS/c12-11(13,14)9-4-3-8(18-9)10-7(17)2-1-6(5-15)16-10/h1-4,17H.
What are the key properties of 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile?
5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 18778999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).