2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile

C14H11FN2OS — CID 110893807

IUPAC2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCC(O)c2ccccc2F)c1
InChIInChI=1S/C14H11FN2OS/c15-12-4-2-1-3-11(12)13(18)9-19-14-7-10(8-16)5-6-17-14/h1-7,13,18H,9H2
InChIKeyQMEMYEFUPVZSBI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile

2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile (PubChem CID 110893807) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile
PubChem CID110893807
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCC(O)c2ccccc2F)c1
InChIInChI=1S/C14H11FN2OS/c15-12-4-2-1-3-11(12)13(18)9-19-14-7-10(8-16)5-6-17-14/h1-7,13,18H,9H2
InChIKeyQMEMYEFUPVZSBI-UHFFFAOYSA-N
XLogP2.92
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile (CID 110893807) is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(SCC(O)c2ccccc2F)c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile?
The InChIKey is QMEMYEFUPVZSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-12-4-2-1-3-11(12)13(18)9-19-14-7-10(8-16)5-6-17-14/h1-7,13,18H,9H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile?
2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 110893807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).