(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate

C21H13ClFNO2S — CID 23585367

IUPAC(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFNO2S/c22-15-7-5-14(6-8-15)18-17-2-1-11-24-20(17)27-19(18)21(25)26-12-13-3-9-16(23)10-4-13/h1-11H,12H2
InChIKeyXVCRRJUPZBQECG-UHFFFAOYSA-N
MW397.86 g/mol
LogP6.11
Rot. Bonds4

About (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate

(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 23585367) has the molecular formula C21H13ClFNO2S and a molecular weight of 397.86 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID23585367
Molecular FormulaC21H13ClFNO2S
Molecular Weight397.86 g/mol
Exact Mass397.03
IUPAC Name(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFNO2S/c22-15-7-5-14(6-8-15)18-17-2-1-11-24-20(17)27-19(18)21(25)26-12-13-3-9-16(23)10-4-13/h1-11H,12H2
InChIKeyXVCRRJUPZBQECG-UHFFFAOYSA-N
XLogP6.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-Chloro-phenyl)-thieno[2,3-b]pyridin-2-yl]-2-(4-fluoro-phenyl)-ethanone
CID 16202224
Methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475832
Cyclohexyl 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 45881926
3-Chlorothieno[2,3-b]pyridine-2-carboxylic acid
CID 16640112
(4-Fluorophenyl) 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 118708383
(4-Chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 118708386
2-[3-(4-Chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 118708388
Ethyl 6-chloro-3,4-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 16227602
4-Chlorothieno(2,3-b)pyridine-2-carboxylic acid
CID 83835400
Methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate
CID 130048765
Ethyl 4-(4-chlorophenyl)-5-methyl-2-(nicotinamido)thiophene-3-carboxylate
CID 1047809
Ethyl thieno[2,3-b]pyridine-2-carboxylate
CID 7162091

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate (CID 23585367) is (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate is O=C(OCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is XVCRRJUPZBQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFNO2S/c22-15-7-5-14(6-8-15)18-17-2-1-11-24-20(17)27-19(18)21(25)26-12-13-3-9-16(23)10-4-13/h1-11H,12H2.
What are the key properties of (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
(4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 397.86 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 23585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).