(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide

C27H27BrNOP — CID 10028596

IUPAC(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide
SMILESCCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C.[Br-]
InChIInChI=1S/C27H26NOP.BrH/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-19H,3,20H2,1-2H3;1H
InChIKeyVEAXXWWWNWZEIN-UHFFFAOYSA-N
MW492.40 g/mol
LogP1.74
Rot. Bonds6

About (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide

(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide (PubChem CID 10028596) has the molecular formula C27H27BrNOP and a molecular weight of 492.40 g/mol. Its IUPAC name is (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide
PubChem CID10028596
Molecular FormulaC27H27BrNOP
Molecular Weight492.40 g/mol
Exact Mass491.10
IUPAC Name(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide
SMILESCCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C.[Br-]
InChIInChI=1S/C27H26NOP.BrH/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-19H,3,20H2,1-2H3;1H
InChIKeyVEAXXWWWNWZEIN-UHFFFAOYSA-N
XLogP1.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4E,6E)-8-(2-methylpropylamino)-8-oxoocta-4,6-dienyl]-triphenylphosphanium
CID 134844284
Phosphineoxide, diphenyl-(2(1H)-pyridon-6-yl)methyl-
CID 608502
(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium
CID 10028597
(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium
CID 146520536
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-lambda4-polanyl)butanamide
CID 156737671
6-[[(2E,4Z)-2-ethenylhexa-2,4-dienoyl]amino]hexyl-triphenylphosphanium
CID 170077048
5-methylidene-3-[2-(triphenyl-lambda5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one
CID 178016062
[(E)-4-(2-methylpropylamino)-4-oxobut-2-enyl]-triphenylphosphanium bromide
CID 53344167
[(E)-4-(2-methylpropylamino)-4-oxobut-2-enyl]-triphenylphosphanium
CID 53344168
[2-(Tert-butylamino)-2-oxoethyl]-triphenylphosphanium
CID 101019181
6-(diphenylphosphanylmethyl)-1H-pyridin-2-one
CID 139050391

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide?
The IUPAC name of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide (CID 10028596) is (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide is CCc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1C.[Br-].
What is the InChIKey of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide?
The InChIKey is VEAXXWWWNWZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26NOP.BrH/c1-3-22-19-23(27(29)28-21(22)2)20-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-19H,3,20H2,1-2H3;1H.
What are the key properties of (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide?
(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide has a molecular weight of 492.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 10028596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).