6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride

C10H14Cl2N2O3S — CID 159778955

IUPAC6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride
SMILESCN(C)C(=O)c1cccc(CCl)n1.CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClN2O.CH3ClO2S/c1-12(2)9(13)8-5-3-4-7(6-10)11-8;1-5(2,3)4/h3-5H,6H2,1-2H3;1H3
InChIKeyNHCNTLJJTRVNML-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.71
Rot. Bonds2

About 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride

6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride (PubChem CID 159778955) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride.

Molecular Properties

Compound Name6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride
PubChem CID159778955
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride
SMILESCN(C)C(=O)c1cccc(CCl)n1.CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClN2O.CH3ClO2S/c1-12(2)9(13)8-5-3-4-7(6-10)11-8;1-5(2,3)4/h3-5H,6H2,1-2H3;1H3
InChIKeyNHCNTLJJTRVNML-UHFFFAOYSA-N
XLogP1.71
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride?
The IUPAC name of 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride (CID 159778955) is 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride.
What is the SMILES notation for 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride?
The canonical SMILES for 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride is CN(C)C(=O)c1cccc(CCl)n1.CS(=O)(=O)Cl.
What is the InChIKey of 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride?
The InChIKey is NHCNTLJJTRVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.CH3ClO2S/c1-12(2)9(13)8-5-3-4-7(6-10)11-8;1-5(2,3)4/h3-5H,6H2,1-2H3;1H3.
What are the key properties of 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride?
6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride has a molecular weight of 313.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N,N-dimethylpyridine-2-carboxamide;methanesulfonyl chloride is sourced from PubChem (CID 159778955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).