4-bromo-3-propan-2-yl-1H-pyridin-2-one

C8H10BrNO — CID 130055296

IUPAC4-bromo-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(Br)cc[nH]c1=O
InChIInChI=1S/C8H10BrNO/c1-5(2)7-6(9)3-4-10-8(7)11/h3-5H,1-2H3,(H,10,11)
InChIKeyXKBXCDRYUQKYQS-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.26
Rot. Bonds1

About 4-bromo-3-propan-2-yl-1H-pyridin-2-one

4-bromo-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 130055296) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-bromo-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-propan-2-yl-1H-pyridin-2-one
PubChem CID130055296
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-bromo-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(Br)cc[nH]c1=O
InChIInChI=1S/C8H10BrNO/c1-5(2)7-6(9)3-4-10-8(7)11/h3-5H,1-2H3,(H,10,11)
InChIKeyXKBXCDRYUQKYQS-UHFFFAOYSA-N
XLogP2.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-propan-2-yl-1H-pyridin-2-one
CID 147790863
6-bromo-7,8-difluoro-2H-isoquinolin-1-one
CID 169118375
6,8-dibromo-2H-isoquinolin-1-one
CID 146049016
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 169246666
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
3-bromo-4-chloro-1H-pyridin-2-one
CID 119024517
3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 122697069
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
7-propan-2-yl-2H-isoquinolin-1-one
CID 59592854
5,7-dibromo-2H-isoquinolin-1-one
CID 114517485
2-methylpropane;3-methyl-1H-pyridin-2-one
CID 143900479

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-propan-2-yl-1H-pyridin-2-one (CID 130055296) is 4-bromo-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(Br)cc[nH]c1=O.
What is the InChIKey of 4-bromo-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is XKBXCDRYUQKYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5(2)7-6(9)3-4-10-8(7)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 4-bromo-3-propan-2-yl-1H-pyridin-2-one?
4-bromo-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 130055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).