6-chloro-7-iodo-1,4-dimethoxyphthalazine

C10H8ClIN2O2 — CID 15458077

IUPAC6-chloro-7-iodo-1,4-dimethoxyphthalazine
SMILESCOc1nnc(OC)c2cc(I)c(Cl)cc12
InChIInChI=1S/C10H8ClIN2O2/c1-15-9-5-3-7(11)8(12)4-6(5)10(16-2)14-13-9/h3-4H,1-2H3
InChIKeyNUHDUPRZDIWQIE-UHFFFAOYSA-N
MW350.54 g/mol
LogP2.90
Rot. Bonds2

About 6-chloro-7-iodo-1,4-dimethoxyphthalazine

6-chloro-7-iodo-1,4-dimethoxyphthalazine (PubChem CID 15458077) has the molecular formula C10H8ClIN2O2 and a molecular weight of 350.54 g/mol. Its IUPAC name is 6-chloro-7-iodo-1,4-dimethoxyphthalazine.

Molecular Properties

Compound Name6-chloro-7-iodo-1,4-dimethoxyphthalazine
PubChem CID15458077
Molecular FormulaC10H8ClIN2O2
Molecular Weight350.54 g/mol
Exact Mass349.93
IUPAC Name6-chloro-7-iodo-1,4-dimethoxyphthalazine
SMILESCOc1nnc(OC)c2cc(I)c(Cl)cc12
InChIInChI=1S/C10H8ClIN2O2/c1-15-9-5-3-7(11)8(12)4-6(5)10(16-2)14-13-9/h3-4H,1-2H3
InChIKeyNUHDUPRZDIWQIE-UHFFFAOYSA-N
XLogP2.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-iodo-1,4-dimethoxyphthalazine?
The IUPAC name of 6-chloro-7-iodo-1,4-dimethoxyphthalazine (CID 15458077) is 6-chloro-7-iodo-1,4-dimethoxyphthalazine.
What is the SMILES notation for 6-chloro-7-iodo-1,4-dimethoxyphthalazine?
The canonical SMILES for 6-chloro-7-iodo-1,4-dimethoxyphthalazine is COc1nnc(OC)c2cc(I)c(Cl)cc12.
What is the InChIKey of 6-chloro-7-iodo-1,4-dimethoxyphthalazine?
The InChIKey is NUHDUPRZDIWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN2O2/c1-15-9-5-3-7(11)8(12)4-6(5)10(16-2)14-13-9/h3-4H,1-2H3.
What are the key properties of 6-chloro-7-iodo-1,4-dimethoxyphthalazine?
6-chloro-7-iodo-1,4-dimethoxyphthalazine has a molecular weight of 350.54 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-iodo-1,4-dimethoxyphthalazine is sourced from PubChem (CID 15458077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).