2-chloropyridine;copper;pentane-2,4-dione

C10H12ClCuNO2 — CID 174556580

IUPAC2-chloropyridine;copper;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.Clc1ccccn1.[Cu]
InChIInChI=1S/C5H4ClN.C5H8O2.Cu/c6-5-3-1-2-4-7-5;1-4(6)3-5(2)7;/h1-4H;3H2,1-2H3;
InChIKeyRCEKCZORPASHAT-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.29
Rot. Bonds2

About 2-chloropyridine;copper;pentane-2,4-dione

2-chloropyridine;copper;pentane-2,4-dione (PubChem CID 174556580) has the molecular formula C10H12ClCuNO2 and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-chloropyridine;copper;pentane-2,4-dione.

Molecular Properties

Compound Name2-chloropyridine;copper;pentane-2,4-dione
PubChem CID174556580
Molecular FormulaC10H12ClCuNO2
Molecular Weight277.21 g/mol
Exact Mass275.99
IUPAC Name2-chloropyridine;copper;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.Clc1ccccn1.[Cu]
InChIInChI=1S/C5H4ClN.C5H8O2.Cu/c6-5-3-1-2-4-7-5;1-4(6)3-5(2)7;/h1-4H;3H2,1-2H3;
InChIKeyRCEKCZORPASHAT-UHFFFAOYSA-N
XLogP2.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 12707221
azanide;carbanide;2-chloropyridine;ethane;bis(rubidium(1+))
CID 158110326
1-aminoethanol;2-chloropyridine
CID 174681100
2-aminobenzamide;2-chloropyridine
CID 174256918
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium;pentane-2,4-dione
CID 59413495
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
acetic acid;2-(chloromethyl)pyridine
CID 174751578
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4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;copper;pentane-2,4-dione?
The IUPAC name of 2-chloropyridine;copper;pentane-2,4-dione (CID 174556580) is 2-chloropyridine;copper;pentane-2,4-dione.
What is the SMILES notation for 2-chloropyridine;copper;pentane-2,4-dione?
The canonical SMILES for 2-chloropyridine;copper;pentane-2,4-dione is CC(=O)CC(C)=O.Clc1ccccn1.[Cu].
What is the InChIKey of 2-chloropyridine;copper;pentane-2,4-dione?
The InChIKey is RCEKCZORPASHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.C5H8O2.Cu/c6-5-3-1-2-4-7-5;1-4(6)3-5(2)7;/h1-4H;3H2,1-2H3;.
What are the key properties of 2-chloropyridine;copper;pentane-2,4-dione?
2-chloropyridine;copper;pentane-2,4-dione has a molecular weight of 277.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;copper;pentane-2,4-dione is sourced from PubChem (CID 174556580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).