2-methylpropanoyl chloride;pyridine

C9H12ClNO — CID 87837374

IUPAC2-methylpropanoyl chloride;pyridine
SMILESCC(C)C(=O)Cl.c1ccncc1
InChIInChI=1S/C5H5N.C4H7ClO/c1-2-4-6-5-3-1;1-3(2)4(5)6/h1-5H;3H,1-2H3
InChIKeyOOQOYXCTHKZQBY-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.49
Rot. Bonds1

About 2-methylpropanoyl chloride;pyridine

2-methylpropanoyl chloride;pyridine (PubChem CID 87837374) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-methylpropanoyl chloride;pyridine.

Molecular Properties

Compound Name2-methylpropanoyl chloride;pyridine
PubChem CID87837374
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-methylpropanoyl chloride;pyridine
SMILESCC(C)C(=O)Cl.c1ccncc1
InChIInChI=1S/C5H5N.C4H7ClO/c1-2-4-6-5-3-1;1-3(2)4(5)6/h1-5H;3H,1-2H3
InChIKeyOOQOYXCTHKZQBY-UHFFFAOYSA-N
XLogP2.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174943555
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyl chloride;pyridine?
The IUPAC name of 2-methylpropanoyl chloride;pyridine (CID 87837374) is 2-methylpropanoyl chloride;pyridine.
What is the SMILES notation for 2-methylpropanoyl chloride;pyridine?
The canonical SMILES for 2-methylpropanoyl chloride;pyridine is CC(C)C(=O)Cl.c1ccncc1.
What is the InChIKey of 2-methylpropanoyl chloride;pyridine?
The InChIKey is OOQOYXCTHKZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H7ClO/c1-2-4-6-5-3-1;1-3(2)4(5)6/h1-5H;3H,1-2H3.
What are the key properties of 2-methylpropanoyl chloride;pyridine?
2-methylpropanoyl chloride;pyridine has a molecular weight of 185.65 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyl chloride;pyridine is sourced from PubChem (CID 87837374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).