6-chlorophthalazine

C8H5ClN2 — CID 12679510

IUPAC6-chlorophthalazine
SMILESClc1ccc2cnncc2c1
InChIInChI=1S/C8H5ClN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
InChIKeyAINDGCOQTNWCCB-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 6-chlorophthalazine

6-chlorophthalazine (PubChem CID 12679510) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 6-chlorophthalazine.

Molecular Properties

Compound Name6-chlorophthalazine
PubChem CID12679510
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name6-chlorophthalazine
SMILESClc1ccc2cnncc2c1
InChIInChI=1S/C8H5ClN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
InChIKeyAINDGCOQTNWCCB-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phthalazine
CID 9207
1,4-Dichlorophthalazine
CID 78490
1-Chlorophthalazine
CID 160793
4-Chlorocinnoline
CID 10909904
1,6-Dichlorophthalazine
CID 14322333
6-Bromo-1-chlorophthalazine
CID 22030424
1-Chlorophthalazine hydrochloride
CID 22386464
1,4-Dichloro-5-methylphthalazine
CID 53421802
1-Chloro-7-(trifluoromethyl)phthalazine
CID 58562576
6,7-Difluorophthalazine
CID 85812499
6-Fluorophthalazine
CID 119084530
Phthalazine 2-oxide
CID 87735

Frequently Asked Questions

What is the IUPAC name of 6-chlorophthalazine?
The IUPAC name of 6-chlorophthalazine (CID 12679510) is 6-chlorophthalazine.
What is the SMILES notation for 6-chlorophthalazine?
The canonical SMILES for 6-chlorophthalazine is Clc1ccc2cnncc2c1.
What is the InChIKey of 6-chlorophthalazine?
The InChIKey is AINDGCOQTNWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H.
What are the key properties of 6-chlorophthalazine?
6-chlorophthalazine has a molecular weight of 164.59 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorophthalazine is sourced from PubChem (CID 12679510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).