4-chloro-2-(1H-indazol-6-yliminomethyl)phenol

C14H10ClN3O — CID 2803081

IUPAC4-chloro-2-(1H-indazol-6-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H10ClN3O/c15-11-2-4-14(19)10(5-11)7-16-12-3-1-9-8-17-18-13(9)6-12/h1-8,19H,(H,17,18)/b16-7+
InChIKeyRDVAAGNYEDHVGL-FRKPEAEDSA-N
MW271.71 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol

4-chloro-2-(1H-indazol-6-yliminomethyl)phenol (PubChem CID 2803081) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1H-indazol-6-yliminomethyl)phenol
PubChem CID2803081
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-2-(1H-indazol-6-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H10ClN3O/c15-11-2-4-14(19)10(5-11)7-16-12-3-1-9-8-17-18-13(9)6-12/h1-8,19H,(H,17,18)/b16-7+
InChIKeyRDVAAGNYEDHVGL-FRKPEAEDSA-N
XLogP3.67
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol (CID 2803081) is 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/c1ccc2cn[nH]c2c1.
What is the InChIKey of 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol?
The InChIKey is RDVAAGNYEDHVGL-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-2-4-14(19)10(5-11)7-16-12-3-1-9-8-17-18-13(9)6-12/h1-8,19H,(H,17,18)/b16-7+.
What are the key properties of 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol?
4-chloro-2-(1H-indazol-6-yliminomethyl)phenol has a molecular weight of 271.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-indazol-6-yliminomethyl)phenol is sourced from PubChem (CID 2803081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).