2-chloropyridine-3-carbonyl chloride;ethane

C8H9Cl2NO — CID 91362446

IUPAC2-chloropyridine-3-carbonyl chloride;ethane
SMILESCC.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO.C2H6/c7-5-4(6(8)10)2-1-3-9-5;1-2/h1-3H;1-2H3
InChIKeyZYQNIXFCMZDTOK-UHFFFAOYSA-N
MW206.07 g/mol
LogP3.14
Rot. Bonds1

About 2-chloropyridine-3-carbonyl chloride;ethane

2-chloropyridine-3-carbonyl chloride;ethane (PubChem CID 91362446) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-chloropyridine-3-carbonyl chloride;ethane.

Molecular Properties

Compound Name2-chloropyridine-3-carbonyl chloride;ethane
PubChem CID91362446
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-chloropyridine-3-carbonyl chloride;ethane
SMILESCC.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C6H3Cl2NO.C2H6/c7-5-4(6(8)10)2-1-3-9-5;1-2/h1-3H;1-2H3
InChIKeyZYQNIXFCMZDTOK-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-3-carbonyl chloride;ethane?
The IUPAC name of 2-chloropyridine-3-carbonyl chloride;ethane (CID 91362446) is 2-chloropyridine-3-carbonyl chloride;ethane.
What is the SMILES notation for 2-chloropyridine-3-carbonyl chloride;ethane?
The canonical SMILES for 2-chloropyridine-3-carbonyl chloride;ethane is CC.O=C(Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloropyridine-3-carbonyl chloride;ethane?
The InChIKey is ZYQNIXFCMZDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO.C2H6/c7-5-4(6(8)10)2-1-3-9-5;1-2/h1-3H;1-2H3.
What are the key properties of 2-chloropyridine-3-carbonyl chloride;ethane?
2-chloropyridine-3-carbonyl chloride;ethane has a molecular weight of 206.07 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine-3-carbonyl chloride;ethane is sourced from PubChem (CID 91362446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).