5-chloro-4,6-dimethylpyridine-2,3-diamine

C7H10ClN3 — CID 58772632

IUPAC5-chloro-4,6-dimethylpyridine-2,3-diamine
SMILESCc1nc(N)c(N)c(C)c1Cl
InChIInChI=1S/C7H10ClN3/c1-3-5(8)4(2)11-7(10)6(3)9/h9H2,1-2H3,(H2,10,11)
InChIKeyXYYOQAPQGIDEBN-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.52
Rot. Bonds

About 5-chloro-4,6-dimethylpyridine-2,3-diamine

5-chloro-4,6-dimethylpyridine-2,3-diamine (PubChem CID 58772632) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-4,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-4,6-dimethylpyridine-2,3-diamine
PubChem CID58772632
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-chloro-4,6-dimethylpyridine-2,3-diamine
SMILESCc1nc(N)c(N)c(C)c1Cl
InChIInChI=1S/C7H10ClN3/c1-3-5(8)4(2)11-7(10)6(3)9/h9H2,1-2H3,(H2,10,11)
InChIKeyXYYOQAPQGIDEBN-UHFFFAOYSA-N
XLogP1.52
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 5-chloro-4,6-dimethylpyridine-2,3-diamine (CID 58772632) is 5-chloro-4,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-4,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 5-chloro-4,6-dimethylpyridine-2,3-diamine is Cc1nc(N)c(N)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethylpyridine-2,3-diamine?
The InChIKey is XYYOQAPQGIDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-3-5(8)4(2)11-7(10)6(3)9/h9H2,1-2H3,(H2,10,11).
What are the key properties of 5-chloro-4,6-dimethylpyridine-2,3-diamine?
5-chloro-4,6-dimethylpyridine-2,3-diamine has a molecular weight of 171.63 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 58772632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).