pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone

C13H8N2OS — CID 81144115

IUPACpyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1cccnc1)c1cnc2ccsc2c1
InChIInChI=1S/C13H8N2OS/c16-13(9-2-1-4-14-7-9)10-6-12-11(15-8-10)3-5-17-12/h1-8H
InChIKeyKBUSVIPNTWIWHD-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.92
Rot. Bonds2

About pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone

pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone (PubChem CID 81144115) has the molecular formula C13H8N2OS and a molecular weight of 240.29 g/mol. Its IUPAC name is pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
PubChem CID81144115
Molecular FormulaC13H8N2OS
Molecular Weight240.29 g/mol
Exact Mass240.04
IUPAC Namepyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1cccnc1)c1cnc2ccsc2c1
InChIInChI=1S/C13H8N2OS/c16-13(9-2-1-4-14-7-9)10-6-12-11(15-8-10)3-5-17-12/h1-8H
InChIKeyKBUSVIPNTWIWHD-UHFFFAOYSA-N
XLogP2.92
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148407
thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
CID 81147088
(2,3-difluorophenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148270
(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 104515035
2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81154316
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The IUPAC name of pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone (CID 81144115) is pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone.
What is the SMILES notation for pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The canonical SMILES for pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone is O=C(c1cccnc1)c1cnc2ccsc2c1.
What is the InChIKey of pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The InChIKey is KBUSVIPNTWIWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS/c16-13(9-2-1-4-14-7-9)10-6-12-11(15-8-10)3-5-17-12/h1-8H.
What are the key properties of pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone?
pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone has a molecular weight of 240.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone is sourced from PubChem (CID 81144115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).