2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride

C8H9Cl2NO — CID 88694189

IUPAC2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride
SMILESCc1cc(C(=O)Cl)c(C)cn1.Cl
InChIInChI=1S/C8H8ClNO.ClH/c1-5-4-10-6(2)3-7(5)8(9)11;/h3-4H,1-2H3;1H
InChIKeyBFXDBYYCZHZWJW-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.50
Rot. Bonds1

About 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride

2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride (PubChem CID 88694189) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride
PubChem CID88694189
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride
SMILESCc1cc(C(=O)Cl)c(C)cn1.Cl
InChIInChI=1S/C8H8ClNO.ClH/c1-5-4-10-6(2)3-7(5)8(9)11;/h3-4H,1-2H3;1H
InChIKeyBFXDBYYCZHZWJW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride?
The IUPAC name of 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride (CID 88694189) is 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride.
What is the SMILES notation for 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride?
The canonical SMILES for 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride is Cc1cc(C(=O)Cl)c(C)cn1.Cl.
What is the InChIKey of 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride?
The InChIKey is BFXDBYYCZHZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c1-5-4-10-6(2)3-7(5)8(9)11;/h3-4H,1-2H3;1H.
What are the key properties of 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride?
2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride is sourced from PubChem (CID 88694189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).