2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone

C9H6Br2N2O — CID 166055094

IUPAC2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESO=C(CBr)c1ccn2cc(Br)nc2c1
InChIInChI=1S/C9H6Br2N2O/c10-4-7(14)6-1-2-13-5-8(11)12-9(13)3-6/h1-3,5H,4H2
InChIKeyWNPDTPNFMOYQDS-UHFFFAOYSA-N
MW317.97 g/mol
LogP2.67
Rot. Bonds2

About 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone

2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 166055094) has the molecular formula C9H6Br2N2O and a molecular weight of 317.97 g/mol. Its IUPAC name is 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone
PubChem CID166055094
Molecular FormulaC9H6Br2N2O
Molecular Weight317.97 g/mol
Exact Mass315.88
IUPAC Name2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESO=C(CBr)c1ccn2cc(Br)nc2c1
InChIInChI=1S/C9H6Br2N2O/c10-4-7(14)6-1-2-13-5-8(11)12-9(13)3-6/h1-3,5H,4H2
InChIKeyWNPDTPNFMOYQDS-UHFFFAOYSA-N
XLogP2.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 52.67
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

1-(2-methylimidazo[1,2-a]pyridin-7-yl)ethanone
CID 84654894
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82529989
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetaldehyde
CID 83898362
ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
CID 143707099
2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134469
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
2-bromo-1-(2-bromo-1,3-benzoxazol-5-yl)ethanone
CID 131125591
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133967
tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate
CID 167356473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone (CID 166055094) is 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone is O=C(CBr)c1ccn2cc(Br)nc2c1.
What is the InChIKey of 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone?
The InChIKey is WNPDTPNFMOYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O/c10-4-7(14)6-1-2-13-5-8(11)12-9(13)3-6/h1-3,5H,4H2.
What are the key properties of 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone?
2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 317.97 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromoimidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 166055094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).