5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

C9H8BrClN2O — CID 143734143

IUPAC5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C
InChIInChI=1S/C9H8BrClN2O/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14/h3-5H,2H2,1H3/b5-3-
InChIKeyBLFUDVPXDDBZGD-HYXAFXHYSA-N
MW275.53 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (PubChem CID 143734143) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
PubChem CID143734143
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C
InChIInChI=1S/C9H8BrClN2O/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14/h3-5H,2H2,1H3/b5-3-
InChIKeyBLFUDVPXDDBZGD-HYXAFXHYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (CID 143734143) is 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is C=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C.
What is the InChIKey of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The InChIKey is BLFUDVPXDDBZGD-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14/h3-5H,2H2,1H3/b5-3-.
What are the key properties of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one has a molecular weight of 275.53 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is sourced from PubChem (CID 143734143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).