3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one

C13H11BrClNO — CID 44528313

IUPAC3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Cl
InChIInChI=1S/C13H11BrClNO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17)
InChIKeyNVINYDKVQPNKGK-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.07
Rot. Bonds1

About 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one

3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44528313) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44528313
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Cl
InChIInChI=1S/C13H11BrClNO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17)
InChIKeyNVINYDKVQPNKGK-UHFFFAOYSA-N
XLogP4.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one (CID 44528313) is 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Cl.
What is the InChIKey of 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is NVINYDKVQPNKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 312.59 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44528313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).