N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

C11H17BrClN3 — CID 63700610

IUPACN'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncc(Br)cc1CCl
InChIInChI=1S/C11H17BrClN3/c1-15(2)4-5-16(3)11-9(7-13)6-10(12)8-14-11/h6,8H,4-5,7H2,1-3H3
InChIKeyVLDXAHDGPPNKPG-UHFFFAOYSA-N
MW306.64 g/mol
LogP2.58
Rot. Bonds5

About N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63700610) has the molecular formula C11H17BrClN3 and a molecular weight of 306.64 g/mol. Its IUPAC name is N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63700610
Molecular FormulaC11H17BrClN3
Molecular Weight306.64 g/mol
Exact Mass305.03
IUPAC NameN'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncc(Br)cc1CCl
InChIInChI=1S/C11H17BrClN3/c1-15(2)4-5-16(3)11-9(7-13)6-10(12)8-14-11/h6,8H,4-5,7H2,1-3H3
InChIKeyVLDXAHDGPPNKPG-UHFFFAOYSA-N
XLogP2.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63700610) is N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1ncc(Br)cc1CCl.
What is the InChIKey of N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is VLDXAHDGPPNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3/c1-15(2)4-5-16(3)11-9(7-13)6-10(12)8-14-11/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 306.64 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63700610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).