7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

C7H6BrN3O — CID 118418351

IUPAC7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2[nH]cnc2c1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)5-6(7(12)11-3)10-2-9-5/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyBHLGIHHGLHIRIM-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.32
Rot. Bonds

About 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 118418351) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID118418351
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2[nH]cnc2c1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)5-6(7(12)11-3)10-2-9-5/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyBHLGIHHGLHIRIM-UHFFFAOYSA-N
XLogP1.32
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1,7-dihydropurin-6-one
CID 135449674
8-bromo-6-methyl-3H-quinazolin-4-one
CID 135743687
6-methyl-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 45079524
6-amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 10241618
1,7-dihydropurin-6-one
CID 135546991
3,7-dihydropurine-2,6-dione;dihydrochloride
CID 141330661
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
5-bromo-4-(1-chloropropan-2-ylsulfonyl)-1H-pyrimidin-6-one
CID 136971741
azane;1,7-dihydropurin-6-one
CID 158320966
4-bromo-3,5,6-trimethyl-1H-pyridin-2-one
CID 14203602
5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
CID 145187400
2-chloro-1,7-dihydropurin-6-one
CID 160598455

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (CID 118418351) is 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is Cc1[nH]c(=O)c2[nH]cnc2c1Br.
What is the InChIKey of 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is BHLGIHHGLHIRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-3-4(8)5-6(7(12)11-3)10-2-9-5/h2H,1H3,(H,9,10)(H,11,12).
What are the key properties of 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 228.05 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 118418351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).