5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one

C14H9FN2O3S — CID 115912029

IUPAC5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H9FN2O3S/c15-11-7-9(1-2-12(11)17(19)20)8-16-5-3-13-10(14(16)18)4-6-21-13/h1-7H,8H2
InChIKeyWIGDRLJSSKUITI-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.16
Rot. Bonds3

About 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one

5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115912029) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID115912029
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Name5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H9FN2O3S/c15-11-7-9(1-2-12(11)17(19)20)8-16-5-3-13-10(14(16)18)4-6-21-13/h1-7H,8H2
InChIKeyWIGDRLJSSKUITI-UHFFFAOYSA-N
XLogP3.16
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(3-fluoro-5-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626859
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
3-chloro-1-[(3-fluoro-4-nitrophenyl)methyl]pyrazin-2-one
CID 114561545
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954
1-cyclopropyl-3-[(3-fluoro-4-nitrophenyl)methyl]imidazol-2-one
CID 80579468
4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886559
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 115912029) is 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is WIGDRLJSSKUITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c15-11-7-9(1-2-12(11)17(19)20)8-16-5-3-13-10(14(16)18)4-6-21-13/h1-7H,8H2.
What are the key properties of 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 304.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).