6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde

C19H10FN3O3S — CID 89033105

IUPAC6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1
InChIInChI=1S/C19H10FN3O3S/c20-13-7-12(23-25)2-4-16(13)26-17-5-6-21-15-8-18(27-19(15)17)14-3-1-11(10-24)9-22-14/h1-10H
InChIKeyCDJHRUZRLPWHJA-UHFFFAOYSA-N
MW379.37 g/mol
LogP5.50
Rot. Bonds5

About 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde

6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde (PubChem CID 89033105) has the molecular formula C19H10FN3O3S and a molecular weight of 379.37 g/mol. Its IUPAC name is 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
PubChem CID89033105
Molecular FormulaC19H10FN3O3S
Molecular Weight379.37 g/mol
Exact Mass379.04
IUPAC Name6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1
InChIInChI=1S/C19H10FN3O3S/c20-13-7-12(23-25)2-4-16(13)26-17-5-6-21-15-8-18(27-19(15)17)14-3-1-11(10-24)9-22-14/h1-10H
InChIKeyCDJHRUZRLPWHJA-UHFFFAOYSA-N
XLogP5.50
TPSA81.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.37
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 88576713
6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine
CID 123394627
6-(7-ethenylthieno[3,2-b]pyridin-2-yl)pyridine-3-carbaldehyde
CID 122468417
2-chloro-N-[[4-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-methylethanamine
CID 88584050
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
cyclobutanol;1-cyclopropyl-3-[4-[2-(5-ethyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 123318324
7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide
CID 89033137
1-cyclopropyl-3-[3-fluoro-4-[2-[5-(hydroxymethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;thionyl dichloride
CID 123912145
6-[7-[[2-(4-chloroanilino)-1,3-benzoxazol-5-yl]oxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 86681423
N-[[6-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methylsulfanylethanamine
CID 67443017
N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine
CID 123498687

Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde (CID 89033105) is 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde is O=Cc1ccc(-c2cc3nccc(Oc4ccc(N=O)cc4F)c3s2)nc1.
What is the InChIKey of 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde?
The InChIKey is CDJHRUZRLPWHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3O3S/c20-13-7-12(23-25)2-4-16(13)26-17-5-6-21-15-8-18(27-19(15)17)14-3-1-11(10-24)9-22-14/h1-10H.
What are the key properties of 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde?
6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde has a molecular weight of 379.37 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 89033105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).