6-chloropteridine

C6H3ClN4 — CID 23424051

IUPAC6-chloropteridine
SMILESClc1cnc2ncncc2n1
InChIInChI=1S/C6H3ClN4/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H
InChIKeyYAVYBQFUSWPIQK-UHFFFAOYSA-N
MW166.57 g/mol
LogP1.07
Rot. Bonds

About 6-chloropteridine

6-chloropteridine (PubChem CID 23424051) has the molecular formula C6H3ClN4 and a molecular weight of 166.57 g/mol. Its IUPAC name is 6-chloropteridine.

Molecular Properties

Compound Name6-chloropteridine
PubChem CID23424051
Molecular FormulaC6H3ClN4
Molecular Weight166.57 g/mol
Exact Mass166.00
IUPAC Name6-chloropteridine
SMILESClc1cnc2ncncc2n1
InChIInChI=1S/C6H3ClN4/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H
InChIKeyYAVYBQFUSWPIQK-UHFFFAOYSA-N
XLogP1.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.57
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloropteridine?
The IUPAC name of 6-chloropteridine (CID 23424051) is 6-chloropteridine.
What is the SMILES notation for 6-chloropteridine?
The canonical SMILES for 6-chloropteridine is Clc1cnc2ncncc2n1.
What is the InChIKey of 6-chloropteridine?
The InChIKey is YAVYBQFUSWPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H.
What are the key properties of 6-chloropteridine?
6-chloropteridine has a molecular weight of 166.57 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropteridine is sourced from PubChem (CID 23424051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).