4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride

C14H7Cl4F2N2O2PS2 — CID 159478401

IUPAC4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride
SMILESFc1cnc2sccc2c1Cl.O=P(Cl)(Cl)Cl.O=c1c(F)c[nH]c2sccc12
InChIInChI=1S/C7H3ClFNS.C7H4FNOS.Cl3OP/c8-6-4-1-2-11-7(4)10-3-5(6)9;8-5-3-9-7-4(6(5)10)1-2-11-7;1-5(2,3)4/h1-3H;1-3H,(H,9,10);
InChIKeyLWRGXJSXOFPXPI-UHFFFAOYSA-N
MW510.14 g/mol
LogP7.63
Rot. Bonds

About 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride

4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride (PubChem CID 159478401) has the molecular formula C14H7Cl4F2N2O2PS2 and a molecular weight of 510.14 g/mol. Its IUPAC name is 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride.

Molecular Properties

Compound Name4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride
PubChem CID159478401
Molecular FormulaC14H7Cl4F2N2O2PS2
Molecular Weight510.14 g/mol
Exact Mass507.84
IUPAC Name4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride
SMILESFc1cnc2sccc2c1Cl.O=P(Cl)(Cl)Cl.O=c1c(F)c[nH]c2sccc12
InChIInChI=1S/C7H3ClFNS.C7H4FNOS.Cl3OP/c8-6-4-1-2-11-7(4)10-3-5(6)9;8-5-3-9-7-4(6(5)10)1-2-11-7;1-5(2,3)4/h1-3H;1-3H,(H,9,10);
InChIKeyLWRGXJSXOFPXPI-UHFFFAOYSA-N
XLogP7.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.14
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride with MolForge

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Related Compounds

4-chloro-5-fluorothieno[2,3-b]pyridine
CID 148533768
5-thia-7,11,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10-pentaen-12-one
CID 141278892
4-chloro-3-fluoroquinoline
CID 22284824
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937
ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 160697572
4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 59396787
ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 160965950
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
CID 174768764
3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
CID 166517675
thieno[2,3-b]pyridine-4,5-diamine
CID 14207945
3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 104832082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride?
The IUPAC name of 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride (CID 159478401) is 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride.
What is the SMILES notation for 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride?
The canonical SMILES for 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride is Fc1cnc2sccc2c1Cl.O=P(Cl)(Cl)Cl.O=c1c(F)c[nH]c2sccc12.
What is the InChIKey of 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride?
The InChIKey is LWRGXJSXOFPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNS.C7H4FNOS.Cl3OP/c8-6-4-1-2-11-7(4)10-3-5(6)9;8-5-3-9-7-4(6(5)10)1-2-11-7;1-5(2,3)4/h1-3H;1-3H,(H,9,10);.
What are the key properties of 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride?
4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride has a molecular weight of 510.14 g/mol, XLogP of 7.63, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluorothieno[2,3-b]pyridine;5-fluoro-7H-thieno[2,3-b]pyridin-4-one;phosphoryl trichloride is sourced from PubChem (CID 159478401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).