6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate

C6H9BrN2O2 — CID 20786943

IUPAC6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate
SMILESCc1[nH]c(N)cc(=O)c1Br.O
InChIInChI=1S/C6H7BrN2O.H2O/c1-3-6(7)4(10)2-5(8)9-3;/h2H,1H3,(H3,8,9,10);1H2
InChIKeyZJJQDGQZPYOEPQ-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.20
Rot. Bonds

About 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate

6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate (PubChem CID 20786943) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate.

Molecular Properties

Compound Name6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate
PubChem CID20786943
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate
SMILESCc1[nH]c(N)cc(=O)c1Br.O
InChIInChI=1S/C6H7BrN2O.H2O/c1-3-6(7)4(10)2-5(8)9-3;/h2H,1H3,(H3,8,9,10);1H2
InChIKeyZJJQDGQZPYOEPQ-UHFFFAOYSA-N
XLogP0.20
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-2-bromo-3-(3,4-dimethyl-2H-1,3-thiazol-2-yl)-1H-pyridin-4-one
CID 102417219
(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
CID 91882852
5-bromo-4,6-dimethyl-1H-pyrimidin-2-one
CID 608811
3-bromo-5,6-dimethyl-1H-pyridin-2-one
CID 50944339
6-amino-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130102466
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131072345
2,6-diamino-1H-pyridine-4-thione
CID 150690188
3-bromo-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130110117
4-bromo-3,5,6-trimethyl-1H-pyridin-2-one
CID 14203602
2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione
CID 167054962
4-bromo-7-methoxy-3-methyl-2H-isoquinolin-1-one
CID 84712008
5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 110204073

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate?
The IUPAC name of 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate (CID 20786943) is 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate.
What is the SMILES notation for 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate?
The canonical SMILES for 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate is Cc1[nH]c(N)cc(=O)c1Br.O.
What is the InChIKey of 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate?
The InChIKey is ZJJQDGQZPYOEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O.H2O/c1-3-6(7)4(10)2-5(8)9-3;/h2H,1H3,(H3,8,9,10);1H2.
What are the key properties of 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate?
6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate has a molecular weight of 221.05 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-2-methyl-1H-pyridin-4-one;hydrate is sourced from PubChem (CID 20786943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).