5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one

C7H5ClN2OS — CID 84669715

IUPAC5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one
SMILESNc1c[nH]c2sc(Cl)cc2c1=O
InChIInChI=1S/C7H5ClN2OS/c8-5-1-3-6(11)4(9)2-10-7(3)12-5/h1-2H,9H2,(H,10,11)
InChIKeyRUCKTYWVRUROEK-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.83
Rot. Bonds

About 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one

5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 84669715) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one
PubChem CID84669715
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one
SMILESNc1c[nH]c2sc(Cl)cc2c1=O
InChIInChI=1S/C7H5ClN2OS/c8-5-1-3-6(11)4(9)2-10-7(3)12-5/h1-2H,9H2,(H,10,11)
InChIKeyRUCKTYWVRUROEK-UHFFFAOYSA-N
XLogP1.83
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
3-amino-7-hydroxy-1H-quinolin-4-one
CID 115014622
1,5-dihydropyrrolo[2,3-f]indole-3,7-diamine
CID 69036391
3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
CID 144617842
2-chloro-1-benzothiophene-5,7-diamine
CID 131080471
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one
CID 57269363
5-amino-2-chloro-1-benzothiophene-6-carbonitrile
CID 131033920
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
2-chloro-5-methyl-1-benzothiophen-7-amine
CID 131034093
N-[(4-chlorophenyl)methyl]-2-cyano-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-[(4-chlorophenyl)methyl]-2-iodo-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 160855736
ethyl 4-chloro-5-thia-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-11-carboxylate
CID 140618778

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one (CID 84669715) is 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one is Nc1c[nH]c2sc(Cl)cc2c1=O.
What is the InChIKey of 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is RUCKTYWVRUROEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c8-5-1-3-6(11)4(9)2-10-7(3)12-5/h1-2H,9H2,(H,10,11).
What are the key properties of 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one?
5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 200.65 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 84669715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).