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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Related Compounds

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CID 573874
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
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CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
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5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)isonicotinamide
CID 764010
5-(Pyridin-3-yl)thiophene-2-carbaldehyde
CID 10899427
5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 11617038
N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589735

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).