gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone

C7H4AuCl3NO+3 — CID 19854375

IUPACgold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone
SMILESCC(=O)c1c(Cl)ncc(Cl)c1Cl.[Au+3]
InChIInChI=1S/C7H4Cl3NO.Au/c1-3(12)5-6(9)4(8)2-11-7(5)10;/h2H,1H3;/q;+3
InChIKeyRWANUYHKDKRACE-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.24
Rot. Bonds1

About gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone

gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone (PubChem CID 19854375) has the molecular formula C7H4AuCl3NO+3 and a molecular weight of 421.44 g/mol. Its IUPAC name is gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone.

Molecular Properties

Compound Namegold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone
PubChem CID19854375
Molecular FormulaC7H4AuCl3NO+3
Molecular Weight421.44 g/mol
Exact Mass419.90
IUPAC Namegold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone
SMILESCC(=O)c1c(Cl)ncc(Cl)c1Cl.[Au+3]
InChIInChI=1S/C7H4Cl3NO.Au/c1-3(12)5-6(9)4(8)2-11-7(5)10;/h2H,1H3;/q;+3
InChIKeyRWANUYHKDKRACE-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2,6-dichlorophenyl)-3-methyl-1-(2,4,5-trichloro-3-pyridinyl)but-2-en-1-one
CID 159439161
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663
2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
CID 141452317
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
2,5-dichloro-3-fluoropyridine-4-carboxylic acid
CID 11009178
oxalonitrile;2,3,4,5-tetrachloropyridine
CID 175434253
5-tert-butyl-2,4-dichloropyridine-3-carboxylic acid
CID 146494137
1-(4,6-dichloropyrimidin-5-yl)ethanol;1-(4,6-dichloropyrimidin-5-yl)ethanone
CID 160727205
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
2,4-dichloro-5-iodopyridine-3-carboxylic acid
CID 10615464
2,4,5-trichloropyridine-3-carbaldehyde
CID 134453137
formonitrile;2,3,4,5-tetrachloropyridine
CID 175403027

Frequently Asked Questions

What is the IUPAC name of gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone?
The IUPAC name of gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone (CID 19854375) is gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone.
What is the SMILES notation for gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone?
The canonical SMILES for gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone is CC(=O)c1c(Cl)ncc(Cl)c1Cl.[Au+3].
What is the InChIKey of gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone?
The InChIKey is RWANUYHKDKRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO.Au/c1-3(12)5-6(9)4(8)2-11-7(5)10;/h2H,1H3;/q;+3.
What are the key properties of gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone?
gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone has a molecular weight of 421.44 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone is sourced from PubChem (CID 19854375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).