3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline

C14H11FN2OS — CID 67471953

IUPAC3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
SMILESCc1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C14H11FN2OS/c1-8-6-11-14(19-8)13(4-5-17-11)18-12-3-2-9(16)7-10(12)15/h2-7H,16H2,1H3
InChIKeyNXFQHZCZARBLQZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.12
Rot. Bonds2

About 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline

3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline (PubChem CID 67471953) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
PubChem CID67471953
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
SMILESCc1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C14H11FN2OS/c1-8-6-11-14(19-8)13(4-5-17-11)18-12-3-2-9(16)7-10(12)15/h2-7H,16H2,1H3
InChIKeyNXFQHZCZARBLQZ-UHFFFAOYSA-N
XLogP4.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
CID 71286419
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine
CID 59457737
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
4-[2-[4-(diethylamino)but-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67348637
ethane;7-methoxy-2-methylthieno[3,2-b]pyridine
CID 143768764
4-[2-[1-(2,2-diethoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67441620
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline (CID 67471953) is 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline is Cc1cc2nccc(Oc3ccc(N)cc3F)c2s1.
What is the InChIKey of 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline?
The InChIKey is NXFQHZCZARBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-8-6-11-14(19-8)13(4-5-17-11)18-12-3-2-9(16)7-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline?
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline has a molecular weight of 274.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline is sourced from PubChem (CID 67471953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).