(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

C12H9BrN2OS — CID 121191124

IUPAC(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1Cc2cccnc2C1
InChIInChI=1S/C12H9BrN2OS/c13-9-4-11(17-7-9)12(16)15-5-8-2-1-3-14-10(8)6-15/h1-4,7H,5-6H2
InChIKeyOSLLOTFDZLCTTP-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.06
Rot. Bonds1

About (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (PubChem CID 121191124) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
PubChem CID121191124
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1Cc2cccnc2C1
InChIInChI=1S/C12H9BrN2OS/c13-9-4-11(17-7-9)12(16)15-5-8-2-1-3-14-10(8)6-15/h1-4,7H,5-6H2
InChIKeyOSLLOTFDZLCTTP-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-methylthiophen-2-yl)methanone
CID 121190850
(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
CID 121184533
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
methyl 2-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)benzoate
CID 121191028
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (CID 121191124) is (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is O=C(c1cc(Br)cs1)N1Cc2cccnc2C1.
What is the InChIKey of (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The InChIKey is OSLLOTFDZLCTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-9-4-11(17-7-9)12(16)15-5-8-2-1-3-14-10(8)6-15/h1-4,7H,5-6H2.
What are the key properties of (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone has a molecular weight of 309.19 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 121191124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).