4-chloro-2,6-dimethylpurino[9,8-a]pyridine

C11H9ClN4 — CID 82354810

IUPAC4-chloro-2,6-dimethylpurino[9,8-a]pyridine
SMILESCc1nc(Cl)c2nc3c(C)cccn3c2n1
InChIInChI=1S/C11H9ClN4/c1-6-4-3-5-16-10(6)15-8-9(12)13-7(2)14-11(8)16/h3-5H,1-2H3
InChIKeyNQIQMSBWUILTJN-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.55
Rot. Bonds

About 4-chloro-2,6-dimethylpurino[9,8-a]pyridine

4-chloro-2,6-dimethylpurino[9,8-a]pyridine (PubChem CID 82354810) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2,6-dimethylpurino[9,8-a]pyridine.

Molecular Properties

Compound Name4-chloro-2,6-dimethylpurino[9,8-a]pyridine
PubChem CID82354810
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name4-chloro-2,6-dimethylpurino[9,8-a]pyridine
SMILESCc1nc(Cl)c2nc3c(C)cccn3c2n1
InChIInChI=1S/C11H9ClN4/c1-6-4-3-5-16-10(6)15-8-9(12)13-7(2)14-11(8)16/h3-5H,1-2H3
InChIKeyNQIQMSBWUILTJN-UHFFFAOYSA-N
XLogP2.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethylpurino[9,8-a]pyridine?
The IUPAC name of 4-chloro-2,6-dimethylpurino[9,8-a]pyridine (CID 82354810) is 4-chloro-2,6-dimethylpurino[9,8-a]pyridine.
What is the SMILES notation for 4-chloro-2,6-dimethylpurino[9,8-a]pyridine?
The canonical SMILES for 4-chloro-2,6-dimethylpurino[9,8-a]pyridine is Cc1nc(Cl)c2nc3c(C)cccn3c2n1.
What is the InChIKey of 4-chloro-2,6-dimethylpurino[9,8-a]pyridine?
The InChIKey is NQIQMSBWUILTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-6-4-3-5-16-10(6)15-8-9(12)13-7(2)14-11(8)16/h3-5H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethylpurino[9,8-a]pyridine?
4-chloro-2,6-dimethylpurino[9,8-a]pyridine has a molecular weight of 232.67 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethylpurino[9,8-a]pyridine is sourced from PubChem (CID 82354810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).