3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)

C9H8BrF3NOOs — CID 162437231

IUPAC3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)
SMILESCc1ccn(C[CH-]C(F)(F)F)c(=O)c1Br.[Os+]
InChIInChI=1S/C9H8BrF3NO.Os/c1-6-2-4-14(8(15)7(6)10)5-3-9(11,12)13;/h2-4H,5H2,1H3;/q-1;+1
InChIKeyPGMPMYKSTZJFBF-UHFFFAOYSA-N
MW473.30 g/mol
LogP2.68
Rot. Bonds2

About 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)

3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+) (PubChem CID 162437231) has the molecular formula C9H8BrF3NOOs and a molecular weight of 473.30 g/mol. Its IUPAC name is 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+).

Molecular Properties

Compound Name3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)
PubChem CID162437231
Molecular FormulaC9H8BrF3NOOs
Molecular Weight473.30 g/mol
Exact Mass473.94
IUPAC Name3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)
SMILESCc1ccn(C[CH-]C(F)(F)F)c(=O)c1Br.[Os+]
InChIInChI=1S/C9H8BrF3NO.Os/c1-6-2-4-14(8(15)7(6)10)5-3-9(11,12)13;/h2-4H,5H2,1H3;/q-1;+1
InChIKeyPGMPMYKSTZJFBF-UHFFFAOYSA-N
XLogP2.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)?
The IUPAC name of 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+) (CID 162437231) is 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+).
What is the SMILES notation for 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)?
The canonical SMILES for 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+) is Cc1ccn(C[CH-]C(F)(F)F)c(=O)c1Br.[Os+].
What is the InChIKey of 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)?
The InChIKey is PGMPMYKSTZJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3NO.Os/c1-6-2-4-14(8(15)7(6)10)5-3-9(11,12)13;/h2-4H,5H2,1H3;/q-1;+1.
What are the key properties of 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+)?
3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+) has a molecular weight of 473.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one;osmium(1+) is sourced from PubChem (CID 162437231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).