7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one

C6H4BrN3O — CID 71304011

IUPAC7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2C(=CN=CC2Br)N1
InChIInChI=1S/C6H4BrN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11)
InChIKeyAEFMHXMTWMGYRM-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.84
Rot. Bonds

About 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one

7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one (PubChem CID 71304011) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
PubChem CID71304011
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2C(=CN=CC2Br)N1
InChIInChI=1S/C6H4BrN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11)
InChIKeyAEFMHXMTWMGYRM-UHFFFAOYSA-N
XLogP0.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304027
6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
1H-thieno[3,4-d]imidazole-2,4-dione
CID 21292269
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
CID 138115458
2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
CID 71651743
4a,8-dihydropteridine-2,4,7-trione
CID 23422163
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
CID 74643944
5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one
CID 90731688
8-bromopurine-2,6-dione
CID 51435868
5-aminoimidazole-2,4-dione
CID 15191549
ethane;5-methylimidazole-2,4-dione
CID 145271204
4,4-dibromo-1H-pyrazol-5-one
CID 23446963

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one (CID 71304011) is 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one is O=C1N=C2C(=CN=CC2Br)N1.
What is the InChIKey of 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is AEFMHXMTWMGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11).
What are the key properties of 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 214.02 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 71304011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).