4-(7-chlorophthalazin-1-yl)aniline

C14H10ClN3 — CID 10890498

IUPAC4-(7-chlorophthalazin-1-yl)aniline
SMILESNc1ccc(-c2nncc3ccc(Cl)cc23)cc1
InChIInChI=1S/C14H10ClN3/c15-11-4-1-10-8-17-18-14(13(10)7-11)9-2-5-12(16)6-3-9/h1-8H,16H2
InChIKeyJPLGGWSHJQPXJR-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.53
Rot. Bonds1

About 4-(7-chlorophthalazin-1-yl)aniline

4-(7-chlorophthalazin-1-yl)aniline (PubChem CID 10890498) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 4-(7-chlorophthalazin-1-yl)aniline.

Molecular Properties

Compound Name4-(7-chlorophthalazin-1-yl)aniline
PubChem CID10890498
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name4-(7-chlorophthalazin-1-yl)aniline
SMILESNc1ccc(-c2nncc3ccc(Cl)cc23)cc1
InChIInChI=1S/C14H10ClN3/c15-11-4-1-10-8-17-18-14(13(10)7-11)9-2-5-12(16)6-3-9/h1-8H,16H2
InChIKeyJPLGGWSHJQPXJR-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chlorophthalazin-1-yl)aniline?
The IUPAC name of 4-(7-chlorophthalazin-1-yl)aniline (CID 10890498) is 4-(7-chlorophthalazin-1-yl)aniline.
What is the SMILES notation for 4-(7-chlorophthalazin-1-yl)aniline?
The canonical SMILES for 4-(7-chlorophthalazin-1-yl)aniline is Nc1ccc(-c2nncc3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-(7-chlorophthalazin-1-yl)aniline?
The InChIKey is JPLGGWSHJQPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-11-4-1-10-8-17-18-14(13(10)7-11)9-2-5-12(16)6-3-9/h1-8H,16H2.
What are the key properties of 4-(7-chlorophthalazin-1-yl)aniline?
4-(7-chlorophthalazin-1-yl)aniline has a molecular weight of 255.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chlorophthalazin-1-yl)aniline is sourced from PubChem (CID 10890498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).