7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C12H13BrClN3O2 — CID 131845408

IUPAC7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(Cl)nc2ncc(Br)cc21
InChIInChI=1S/C12H13BrClN3O2/c1-2-4-19-5-3-17-9-6-8(13)7-15-11(9)16-10(14)12(17)18/h6-7H,2-5H2,1H3
InChIKeyMEFNWLRHVRRFBP-UHFFFAOYSA-N
MW346.61 g/mol
LogP2.63
Rot. Bonds5

About 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 131845408) has the molecular formula C12H13BrClN3O2 and a molecular weight of 346.61 g/mol. Its IUPAC name is 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID131845408
Molecular FormulaC12H13BrClN3O2
Molecular Weight346.61 g/mol
Exact Mass344.99
IUPAC Name7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(Cl)nc2ncc(Br)cc21
InChIInChI=1S/C12H13BrClN3O2/c1-2-4-19-5-3-17-9-6-8(13)7-15-11(9)16-10(14)12(17)18/h6-7H,2-5H2,1H3
InChIKeyMEFNWLRHVRRFBP-UHFFFAOYSA-N
XLogP2.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 131845408) is 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(Cl)nc2ncc(Br)cc21.
What is the InChIKey of 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is MEFNWLRHVRRFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2/c1-2-4-19-5-3-17-9-6-8(13)7-15-11(9)16-10(14)12(17)18/h6-7H,2-5H2,1H3.
What are the key properties of 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 346.61 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 131845408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).