6-propan-2-ylpyridine-2-carbonyl chloride

C9H10ClNO — CID 130153225

IUPAC6-propan-2-ylpyridine-2-carbonyl chloride
SMILESCC(C)c1cccc(C(=O)Cl)n1
InChIInChI=1S/C9H10ClNO/c1-6(2)7-4-3-5-8(11-7)9(10)12/h3-6H,1-2H3
InChIKeyOTHHQJLERCURGC-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.58
Rot. Bonds2

About 6-propan-2-ylpyridine-2-carbonyl chloride

6-propan-2-ylpyridine-2-carbonyl chloride (PubChem CID 130153225) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 6-propan-2-ylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-propan-2-ylpyridine-2-carbonyl chloride
PubChem CID130153225
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name6-propan-2-ylpyridine-2-carbonyl chloride
SMILESCC(C)c1cccc(C(=O)Cl)n1
InChIInChI=1S/C9H10ClNO/c1-6(2)7-4-3-5-8(11-7)9(10)12/h3-6H,1-2H3
InChIKeyOTHHQJLERCURGC-UHFFFAOYSA-N
XLogP2.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyridine-2-carbonyl chloride?
The IUPAC name of 6-propan-2-ylpyridine-2-carbonyl chloride (CID 130153225) is 6-propan-2-ylpyridine-2-carbonyl chloride.
What is the SMILES notation for 6-propan-2-ylpyridine-2-carbonyl chloride?
The canonical SMILES for 6-propan-2-ylpyridine-2-carbonyl chloride is CC(C)c1cccc(C(=O)Cl)n1.
What is the InChIKey of 6-propan-2-ylpyridine-2-carbonyl chloride?
The InChIKey is OTHHQJLERCURGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(2)7-4-3-5-8(11-7)9(10)12/h3-6H,1-2H3.
What are the key properties of 6-propan-2-ylpyridine-2-carbonyl chloride?
6-propan-2-ylpyridine-2-carbonyl chloride has a molecular weight of 183.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130153225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).