5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde

C15H10F2N2OS — CID 142476320

IUPAC5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde
SMILESCc1ccc(Nc2sc3ncc(F)cc3c2C=O)c(F)c1
InChIInChI=1S/C15H10F2N2OS/c1-8-2-3-13(12(17)4-8)19-15-11(7-20)10-5-9(16)6-18-14(10)21-15/h2-7,19H,1H3
InChIKeySARZJDGYQXQZDM-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.44
Rot. Bonds3

About 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde

5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde (PubChem CID 142476320) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde
PubChem CID142476320
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde
SMILESCc1ccc(Nc2sc3ncc(F)cc3c2C=O)c(F)c1
InChIInChI=1S/C15H10F2N2OS/c1-8-2-3-13(12(17)4-8)19-15-11(7-20)10-5-9(16)6-18-14(10)21-15/h2-7,19H,1H3
InChIKeySARZJDGYQXQZDM-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476271
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476310
methyl 5-acetyl-2-(2-fluoro-4-methylanilino)-4-methylthiophene-3-carboxylate
CID 167133053
4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde
CID 87198767
methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
CID 114059713
4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174670
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde (CID 142476320) is 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde is Cc1ccc(Nc2sc3ncc(F)cc3c2C=O)c(F)c1.
What is the InChIKey of 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is SARZJDGYQXQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c1-8-2-3-13(12(17)4-8)19-15-11(7-20)10-5-9(16)6-18-14(10)21-15/h2-7,19H,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde?
5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 304.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-4-methylanilino)thieno[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 142476320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).