4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine

C9H9ClN4 — CID 53213130

IUPAC4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine
SMILESClc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C9H9ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h5H,1-4H2
InChIKeyBXUAHIZVMYTRKV-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.82
Rot. Bonds

About 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine

4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine (PubChem CID 53213130) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine.

Molecular Properties

Compound Name4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine
PubChem CID53213130
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine
SMILESClc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C9H9ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h5H,1-4H2
InChIKeyBXUAHIZVMYTRKV-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The IUPAC name of 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine (CID 53213130) is 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine.
What is the SMILES notation for 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The canonical SMILES for 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine is Clc1ncnc2c1nc1n2CCCC1.
What is the InChIKey of 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
The InChIKey is BXUAHIZVMYTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h5H,1-4H2.
What are the key properties of 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine?
4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine has a molecular weight of 208.65 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine is sourced from PubChem (CID 53213130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).