2-chloropteridine

C6H3ClN4 — CID 640537

IUPAC2-chloropteridine
SMILESClc1ncc2nccnc2n1
InChIInChI=1S/C6H3ClN4/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H
InChIKeyJISQBJRFTCXDEO-UHFFFAOYSA-N
MW166.57 g/mol
LogP1.07
Rot. Bonds

About 2-chloropteridine

2-chloropteridine (PubChem CID 640537) has the molecular formula C6H3ClN4 and a molecular weight of 166.57 g/mol. Its IUPAC name is 2-chloropteridine.

Molecular Properties

Compound Name2-chloropteridine
PubChem CID640537
Molecular FormulaC6H3ClN4
Molecular Weight166.57 g/mol
Exact Mass166.00
IUPAC Name2-chloropteridine
SMILESClc1ncc2nccnc2n1
InChIInChI=1S/C6H3ClN4/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H
InChIKeyJISQBJRFTCXDEO-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 2-chloropteridine?
The IUPAC name of 2-chloropteridine (CID 640537) is 2-chloropteridine.
What is the SMILES notation for 2-chloropteridine?
The canonical SMILES for 2-chloropteridine is Clc1ncc2nccnc2n1.
What is the InChIKey of 2-chloropteridine?
The InChIKey is JISQBJRFTCXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H.
What are the key properties of 2-chloropteridine?
2-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 2-chloropteridine is sourced from PubChem (CID 640537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).