4-methylbenzoyl chloride;pyridine

C13H12ClNO — CID 131721472

IUPAC4-methylbenzoyl chloride;pyridine
SMILESCc1ccc(C(=O)Cl)cc1.c1ccncc1
InChIInChI=1S/C8H7ClO.C5H5N/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeyZNXKDSPEPRMGCK-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.46
Rot. Bonds1

About 4-methylbenzoyl chloride;pyridine

4-methylbenzoyl chloride;pyridine (PubChem CID 131721472) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-methylbenzoyl chloride;pyridine.

Molecular Properties

Compound Name4-methylbenzoyl chloride;pyridine
PubChem CID131721472
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-methylbenzoyl chloride;pyridine
SMILESCc1ccc(C(=O)Cl)cc1.c1ccncc1
InChIInChI=1S/C8H7ClO.C5H5N/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3;1-5H
InChIKeyZNXKDSPEPRMGCK-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.46
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

4-methylbenzoyl chloride
CID 13405
bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
CID 158771244
CID 158771244
ethane;bis(pyridine);toluene
CID 90934596
4-(5-methylthiophen-2-yl)benzoyl chloride
CID 87404032
lithium;hydride;4-methylbenzenesulfonic acid;pyridine
CID 174906944
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
4-(2,6-dimethylphenyl)benzoyl chloride
CID 87540667
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
benzoyl chloride;selane
CID 174449470
tetrakis(2,6-bis(4-methylphenyl)benzoate);bis(iron(2+));bis(pyridine)
CID 139120686
benzoyl chloride;dimethyltin
CID 174591343

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzoyl chloride;pyridine?
The IUPAC name of 4-methylbenzoyl chloride;pyridine (CID 131721472) is 4-methylbenzoyl chloride;pyridine.
What is the SMILES notation for 4-methylbenzoyl chloride;pyridine?
The canonical SMILES for 4-methylbenzoyl chloride;pyridine is Cc1ccc(C(=O)Cl)cc1.c1ccncc1.
What is the InChIKey of 4-methylbenzoyl chloride;pyridine?
The InChIKey is ZNXKDSPEPRMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO.C5H5N/c1-6-2-4-7(5-3-6)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3;1-5H.
What are the key properties of 4-methylbenzoyl chloride;pyridine?
4-methylbenzoyl chloride;pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzoyl chloride;pyridine is sourced from PubChem (CID 131721472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).