3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one

C12H11BrN2O — CID 14978532

IUPAC3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Br)cc1-c1ccncc1
InChIInChI=1S/C12H11BrN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyLSUZRHQDKYOUME-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.76
Rot. Bonds2

About 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one

3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 14978532) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID14978532
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Br)cc1-c1ccncc1
InChIInChI=1S/C12H11BrN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyLSUZRHQDKYOUME-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 70513872
3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 20515034
N-(6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide
CID 20514941
6-(2-methylpropyl)-3-nitro-5-pyridin-4-yl-1H-pyridin-2-one
CID 20523893
6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 20553799
ethyl 6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
CID 20553774
5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one
CID 70517360
ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
CID 139144971
3-(4-oxopent-2-en-2-ylamino)-6-propyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 70543541
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
CID 117260877
5-bromo-6-ethyl-1H-pyridin-2-one
CID 130630213
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one (CID 14978532) is 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one is CCc1[nH]c(=O)c(Br)cc1-c1ccncc1.
What is the InChIKey of 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is LSUZRHQDKYOUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-2-11-9(7-10(13)12(16)15-11)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one?
3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 279.14 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 14978532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).