5-N-chloro-4,6-dimethylpyridine-2,5-diamine

C7H10ClN3 — CID 118668730

IUPAC5-N-chloro-4,6-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)nc(C)c1NCl
InChIInChI=1S/C7H10ClN3/c1-4-3-6(9)10-5(2)7(4)11-8/h3,11H,1-2H3,(H2,9,10)
InChIKeyHBZOACIQURFPNG-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.85
Rot. Bonds1

About 5-N-chloro-4,6-dimethylpyridine-2,5-diamine

5-N-chloro-4,6-dimethylpyridine-2,5-diamine (PubChem CID 118668730) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-N-chloro-4,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-chloro-4,6-dimethylpyridine-2,5-diamine
PubChem CID118668730
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-N-chloro-4,6-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)nc(C)c1NCl
InChIInChI=1S/C7H10ClN3/c1-4-3-6(9)10-5(2)7(4)11-8/h3,11H,1-2H3,(H2,9,10)
InChIKeyHBZOACIQURFPNG-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-chloro-4,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-chloro-4,6-dimethylpyridine-2,5-diamine (CID 118668730) is 5-N-chloro-4,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-chloro-4,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-chloro-4,6-dimethylpyridine-2,5-diamine is Cc1cc(N)nc(C)c1NCl.
What is the InChIKey of 5-N-chloro-4,6-dimethylpyridine-2,5-diamine?
The InChIKey is HBZOACIQURFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4-3-6(9)10-5(2)7(4)11-8/h3,11H,1-2H3,(H2,9,10).
What are the key properties of 5-N-chloro-4,6-dimethylpyridine-2,5-diamine?
5-N-chloro-4,6-dimethylpyridine-2,5-diamine has a molecular weight of 171.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-chloro-4,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 118668730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).