4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile

C16H7Cl2FN2S — CID 150074025

IUPAC4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)csc1-c1ccnc(F)c1
InChIInChI=1S/C16H7Cl2FN2S/c17-10-1-2-11(14(18)6-10)13-8-22-16(12(13)7-20)9-3-4-21-15(19)5-9/h1-6,8H
InChIKeyDPWPKMRDZTWUCF-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.79
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile

4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile (PubChem CID 150074025) has the molecular formula C16H7Cl2FN2S and a molecular weight of 349.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile
PubChem CID150074025
Molecular FormulaC16H7Cl2FN2S
Molecular Weight349.22 g/mol
Exact Mass347.97
IUPAC Name4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)csc1-c1ccnc(F)c1
InChIInChI=1S/C16H7Cl2FN2S/c17-10-1-2-11(14(18)6-10)13-8-22-16(12(13)7-20)9-3-4-21-15(19)5-9/h1-6,8H
InChIKeyDPWPKMRDZTWUCF-UHFFFAOYSA-N
XLogP5.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile (CID 150074025) is 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2Cl)csc1-c1ccnc(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile?
The InChIKey is DPWPKMRDZTWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl2FN2S/c17-10-1-2-11(14(18)6-10)13-8-22-16(12(13)7-20)9-3-4-21-15(19)5-9/h1-6,8H.
What are the key properties of 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile?
4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile has a molecular weight of 349.22 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile is sourced from PubChem (CID 150074025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).