4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine

C17H9Cl2FN2S — CID 89044239

IUPAC4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine
SMILESC#Cc1sc(-c2ccnc(F)c2)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl2FN2S/c1-2-13-15(11-4-3-10(18)8-12(11)19)16(21)17(23-13)9-5-6-22-14(20)7-9/h1,3-8H,21H2
InChIKeyNYOVZDGPLMJJMU-UHFFFAOYSA-N
MW363.24 g/mol
LogP5.49
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine

4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine (PubChem CID 89044239) has the molecular formula C17H9Cl2FN2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine
PubChem CID89044239
Molecular FormulaC17H9Cl2FN2S
Molecular Weight363.24 g/mol
Exact Mass361.98
IUPAC Name4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine
SMILESC#Cc1sc(-c2ccnc(F)c2)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl2FN2S/c1-2-13-15(11-4-3-10(18)8-12(11)19)16(21)17(23-13)9-5-6-22-14(20)7-9/h1,3-8H,21H2
InChIKeyNYOVZDGPLMJJMU-UHFFFAOYSA-N
XLogP5.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide
CID 46866575
4-(2,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753195
acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
CID 160975403
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
CID 106753135
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
CID 82366103
4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-5-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine
CID 58095260
5-(2-amino-1-diazenylethyl)-2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 90944528
3-(2-fluoro-4-pyridinyl)-6-methylpyridin-2-amine
CID 50978797
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine (CID 89044239) is 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine is C#Cc1sc(-c2ccnc(F)c2)c(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine?
The InChIKey is NYOVZDGPLMJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2FN2S/c1-2-13-15(11-4-3-10(18)8-12(11)19)16(21)17(23-13)9-5-6-22-14(20)7-9/h1,3-8H,21H2.
What are the key properties of 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine?
4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine has a molecular weight of 363.24 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-ethynyl-2-(2-fluoro-4-pyridinyl)thiophen-3-amine is sourced from PubChem (CID 89044239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).