2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one

C10H10BrNOS — CID 84713299

IUPAC2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one
SMILESCN1C(=O)Cc2sc(Br)cc2C12CC2
InChIInChI=1S/C10H10BrNOS/c1-12-9(13)5-7-6(4-8(11)14-7)10(12)2-3-10/h4H,2-3,5H2,1H3
InChIKeyAVNWQWAIWXUAMF-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one

2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one (PubChem CID 84713299) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one.

Molecular Properties

Compound Name2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one
PubChem CID84713299
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one
SMILESCN1C(=O)Cc2sc(Br)cc2C12CC2
InChIInChI=1S/C10H10BrNOS/c1-12-9(13)5-7-6(4-8(11)14-7)10(12)2-3-10/h4H,2-3,5H2,1H3
InChIKeyAVNWQWAIWXUAMF-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14507935
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2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]
CID 117273978
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
CID 82690207
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CID 82378881
1-(2,5-dibromothiophen-3-yl)cyclopropan-1-ol
CID 107965689
5-bromo-2-methylspiro[isoindole-3,4'-oxane]-1-one
CID 171798154
6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine
CID 58095862
2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82384737
9'-bromo-8'-fluoro-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116976
(2'S,4R)-2-bromo-2'-tert-butyl-1'-deuterio-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 175952959
2,5-dibromo-3-ethylthiophene
CID 14896125

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one?
The IUPAC name of 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one (CID 84713299) is 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one.
What is the SMILES notation for 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one?
The canonical SMILES for 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one is CN1C(=O)Cc2sc(Br)cc2C12CC2.
What is the InChIKey of 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one?
The InChIKey is AVNWQWAIWXUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-12-9(13)5-7-6(4-8(11)14-7)10(12)2-3-10/h4H,2-3,5H2,1H3.
What are the key properties of 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one?
2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one has a molecular weight of 272.17 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylspiro[7H-thieno[3,2-c]pyridine-4,1'-cyclopropane]-6-one is sourced from PubChem (CID 84713299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).