7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one

C11H11BrClN3O — CID 137463664

IUPAC7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one
SMILESCCCCn1c(=O)c(Cl)nc2ncc(Br)cc21
InChIInChI=1S/C11H11BrClN3O/c1-2-3-4-16-8-5-7(12)6-14-10(8)15-9(13)11(16)17/h5-6H,2-4H2,1H3
InChIKeyNFKNUYHDLLZVDF-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.01
Rot. Bonds3

About 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one

7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one (PubChem CID 137463664) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one
PubChem CID137463664
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one
SMILESCCCCn1c(=O)c(Cl)nc2ncc(Br)cc21
InChIInChI=1S/C11H11BrClN3O/c1-2-3-4-16-8-5-7(12)6-14-10(8)15-9(13)11(16)17/h5-6H,2-4H2,1H3
InChIKeyNFKNUYHDLLZVDF-UHFFFAOYSA-N
XLogP3.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one (CID 137463664) is 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one is CCCCn1c(=O)c(Cl)nc2ncc(Br)cc21.
What is the InChIKey of 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one?
The InChIKey is NFKNUYHDLLZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-2-3-4-16-8-5-7(12)6-14-10(8)15-9(13)11(16)17/h5-6H,2-4H2,1H3.
What are the key properties of 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one?
7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one has a molecular weight of 316.59 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 137463664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).