3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one

C8H5BrClN3OS — CID 114760486

IUPAC3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1nnsc1Cl
InChIInChI=1S/C8H5BrClN3OS/c9-5-2-1-3-13(8(5)14)4-6-7(10)15-12-11-6/h1-3H,4H2
InChIKeyYZGXGAFVRQRGNZ-UHFFFAOYSA-N
MW306.57 g/mol
LogP2.16
Rot. Bonds2

About 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one

3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one (PubChem CID 114760486) has the molecular formula C8H5BrClN3OS and a molecular weight of 306.57 g/mol. Its IUPAC name is 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
PubChem CID114760486
Molecular FormulaC8H5BrClN3OS
Molecular Weight306.57 g/mol
Exact Mass304.90
IUPAC Name3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1nnsc1Cl
InChIInChI=1S/C8H5BrClN3OS/c9-5-2-1-3-13(8(5)14)4-6-7(10)15-12-11-6/h1-3H,4H2
InChIKeyYZGXGAFVRQRGNZ-UHFFFAOYSA-N
XLogP2.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one (CID 114760486) is 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one is O=c1c(Br)cccn1Cc1nnsc1Cl.
What is the InChIKey of 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The InChIKey is YZGXGAFVRQRGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3OS/c9-5-2-1-3-13(8(5)14)4-6-7(10)15-12-11-6/h1-3H,4H2.
What are the key properties of 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one has a molecular weight of 306.57 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 114760486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).