4-chloro-2-(1H-indazol-3-yliminomethyl)phenol

C14H10ClN3O — CID 4851905

IUPAC4-chloro-2-(1H-indazol-3-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1n[nH]c2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-10-5-6-13(19)9(7-10)8-16-14-11-3-1-2-4-12(11)17-18-14/h1-8,19H,(H,17,18)/b16-8+
InChIKeyNVFOEOYLUJJSGV-LZYBPNLTSA-N
MW271.71 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol

4-chloro-2-(1H-indazol-3-yliminomethyl)phenol (PubChem CID 4851905) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1H-indazol-3-yliminomethyl)phenol
PubChem CID4851905
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-2-(1H-indazol-3-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1n[nH]c2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-10-5-6-13(19)9(7-10)8-16-14-11-3-1-2-4-12(11)17-18-14/h1-8,19H,(H,17,18)/b16-8+
InChIKeyNVFOEOYLUJJSGV-LZYBPNLTSA-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-3-yliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol (CID 4851905) is 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/c1n[nH]c2ccccc12.
What is the InChIKey of 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol?
The InChIKey is NVFOEOYLUJJSGV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-5-6-13(19)9(7-10)8-16-14-11-3-1-2-4-12(11)17-18-14/h1-8,19H,(H,17,18)/b16-8+.
What are the key properties of 4-chloro-2-(1H-indazol-3-yliminomethyl)phenol?
4-chloro-2-(1H-indazol-3-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-3-yliminomethyl)phenol is sourced from PubChem (CID 4851905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).