2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone

C9H6BrNOS — CID 162684232

IUPAC2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone
SMILESO=C(CBr)c1ccnc2ccsc12
InChIInChI=1S/C9H6BrNOS/c10-5-8(12)6-1-3-11-7-2-4-13-9(6)7/h1-4H,5H2
InChIKeyDFNSSHDMDXCYRH-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone

2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone (PubChem CID 162684232) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone.

Molecular Properties

Compound Name2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone
PubChem CID162684232
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone
SMILESO=C(CBr)c1ccnc2ccsc12
InChIInChI=1S/C9H6BrNOS/c10-5-8(12)6-1-3-11-7-2-4-13-9(6)7/h1-4H,5H2
InChIKeyDFNSSHDMDXCYRH-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-thieno[3,2-b]pyridin-7-ylacetic acid
CID 67338156
ethane;7-ethylthieno[3,2-b]pyridine
CID 143768576
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
ethyl 2-thieno[3,2-b]pyridin-7-ylacetate
CID 67338527
N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
CID 166361501
3-(2-bromoacetyl)thiophene-2-sulfinic acid
CID 59144203
4-thieno[3,2-b]pyridin-7-ylphenol
CID 166688050
1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one
CID 23046142
1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone
CID 110282316
N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide
CID 166295647
(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol
CID 130653771
ethyl 2-(1,1-difluoroethyl)-1-thieno[3,2-b]pyridin-7-ylpyrrole-3-carboxylate
CID 167676131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone?
The IUPAC name of 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone (CID 162684232) is 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone.
What is the SMILES notation for 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone?
The canonical SMILES for 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone is O=C(CBr)c1ccnc2ccsc12.
What is the InChIKey of 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone?
The InChIKey is DFNSSHDMDXCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c10-5-8(12)6-1-3-11-7-2-4-13-9(6)7/h1-4H,5H2.
What are the key properties of 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone?
2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone has a molecular weight of 256.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone is sourced from PubChem (CID 162684232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).