7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C12H7BrN2OS — CID 53245730

IUPAC7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(Br)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
InChIKeyYFBJHINTWOTPAK-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.41
Rot. Bonds1

About 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 53245730) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID53245730
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(Br)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
InChIKeyYFBJHINTWOTPAK-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 53245730) is 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(Br)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is YFBJHINTWOTPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16).
What are the key properties of 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 307.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 53245730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).