(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone

C16H10ClF2NO3S — CID 151240969

IUPAC(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(F)c(C(=O)c2cc3cc(Cl)ncc3s2)c1F
InChIInChI=1S/C16H10ClF2NO3S/c1-22-8-5-9(23-2)15(19)13(14(8)18)16(21)10-3-7-4-12(17)20-6-11(7)24-10/h3-6H,1-2H3
InChIKeyNQHNGRHBRCLDJG-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.48
Rot. Bonds4

About (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone

(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone (PubChem CID 151240969) has the molecular formula C16H10ClF2NO3S and a molecular weight of 369.78 g/mol. Its IUPAC name is (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
PubChem CID151240969
Molecular FormulaC16H10ClF2NO3S
Molecular Weight369.78 g/mol
Exact Mass369.00
IUPAC Name(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(F)c(C(=O)c2cc3cc(Cl)ncc3s2)c1F
InChIInChI=1S/C16H10ClF2NO3S/c1-22-8-5-9(23-2)15(19)13(14(8)18)16(21)10-3-7-4-12(17)20-6-11(7)24-10/h3-6H,1-2H3
InChIKeyNQHNGRHBRCLDJG-UHFFFAOYSA-N
XLogP4.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The IUPAC name of (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone (CID 151240969) is (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone is COc1cc(OC)c(F)c(C(=O)c2cc3cc(Cl)ncc3s2)c1F.
What is the InChIKey of (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
The InChIKey is NQHNGRHBRCLDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO3S/c1-22-8-5-9(23-2)15(19)13(14(8)18)16(21)10-3-7-4-12(17)20-6-11(7)24-10/h3-6H,1-2H3.
What are the key properties of (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone?
(5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone has a molecular weight of 369.78 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothieno[2,3-c]pyridin-2-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 151240969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).