2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C18H13FN2OS — CID 10969383

IUPAC2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C18H13FN2OS/c1-2-22-18-15(11-20)14(12-5-7-13(19)8-6-12)10-16(21-18)17-4-3-9-23-17/h3-10H,2H2,1H3
InChIKeyUTVCUQMQBLJRFV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.89
Rot. Bonds4

About 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 10969383) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID10969383
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C18H13FN2OS/c1-2-22-18-15(11-20)14(12-5-7-13(19)8-6-12)10-16(21-18)17-4-3-9-23-17/h3-10H,2H2,1H3
InChIKeyUTVCUQMQBLJRFV-UHFFFAOYSA-N
XLogP4.89
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
ethyl 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]propanoate
CID 3960465
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 143926979
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]methanol
CID 15099529
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
CID 154644718

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 10969383) is 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is CCOc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is UTVCUQMQBLJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-2-22-18-15(11-20)14(12-5-7-13(19)8-6-12)10-16(21-18)17-4-3-9-23-17/h3-10H,2H2,1H3.
What are the key properties of 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 10969383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).