4-(7-chloro-1-methylindazol-4-yl)oxyaniline

C14H12ClN3O — CID 118204079

IUPAC4-(7-chloro-1-methylindazol-4-yl)oxyaniline
SMILESCn1ncc2c(Oc3ccc(N)cc3)ccc(Cl)c21
InChIInChI=1S/C14H12ClN3O/c1-18-14-11(8-17-18)13(7-6-12(14)15)19-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3
InChIKeyUMKWUVLHAVZITP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.60
Rot. Bonds2

About 4-(7-chloro-1-methylindazol-4-yl)oxyaniline

4-(7-chloro-1-methylindazol-4-yl)oxyaniline (PubChem CID 118204079) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(7-chloro-1-methylindazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(7-chloro-1-methylindazol-4-yl)oxyaniline
PubChem CID118204079
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(7-chloro-1-methylindazol-4-yl)oxyaniline
SMILESCn1ncc2c(Oc3ccc(N)cc3)ccc(Cl)c21
InChIInChI=1S/C14H12ClN3O/c1-18-14-11(8-17-18)13(7-6-12(14)15)19-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3
InChIKeyUMKWUVLHAVZITP-UHFFFAOYSA-N
XLogP3.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methylindazol-4-yl)oxyaniline?
The IUPAC name of 4-(7-chloro-1-methylindazol-4-yl)oxyaniline (CID 118204079) is 4-(7-chloro-1-methylindazol-4-yl)oxyaniline.
What is the SMILES notation for 4-(7-chloro-1-methylindazol-4-yl)oxyaniline?
The canonical SMILES for 4-(7-chloro-1-methylindazol-4-yl)oxyaniline is Cn1ncc2c(Oc3ccc(N)cc3)ccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-methylindazol-4-yl)oxyaniline?
The InChIKey is UMKWUVLHAVZITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18-14-11(8-17-18)13(7-6-12(14)15)19-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3.
What are the key properties of 4-(7-chloro-1-methylindazol-4-yl)oxyaniline?
4-(7-chloro-1-methylindazol-4-yl)oxyaniline has a molecular weight of 273.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-methylindazol-4-yl)oxyaniline is sourced from PubChem (CID 118204079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).