5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride

C8H12Cl2N2 — CID 121023530

IUPAC5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCN(C)c1ccc(CCl)cn1.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-7(5-9)6-10-8;/h3-4,6H,5H2,1-2H3;1H
InChIKeyLGBKDBLYRPNGBK-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.31
Rot. Bonds2

About 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride

5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride (PubChem CID 121023530) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride
PubChem CID121023530
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCN(C)c1ccc(CCl)cn1.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-7(5-9)6-10-8;/h3-4,6H,5H2,1-2H3;1H
InChIKeyLGBKDBLYRPNGBK-UHFFFAOYSA-N
XLogP2.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride (CID 121023530) is 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride is CN(C)c1ccc(CCl)cn1.Cl.
What is the InChIKey of 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride?
The InChIKey is LGBKDBLYRPNGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-7(5-9)6-10-8;/h3-4,6H,5H2,1-2H3;1H.
What are the key properties of 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride?
5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride has a molecular weight of 207.10 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,N-dimethylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 121023530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).