2-(1H-indazol-5-yliminomethyl)phenol

C14H11N3O — CID 795023

IUPAC2-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H11N3O/c18-14-4-2-1-3-10(14)8-15-12-5-6-13-11(7-12)9-16-17-13/h1-9,18H,(H,16,17)/b15-8+
InChIKeySROFKEDQPGIYND-OVCLIPMQSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds2

About 2-(1H-indazol-5-yliminomethyl)phenol

2-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 795023) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(1H-indazol-5-yliminomethyl)phenol
PubChem CID795023
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H11N3O/c18-14-4-2-1-3-10(14)8-15-12-5-6-13-11(7-12)9-16-17-13/h1-9,18H,(H,16,17)/b15-8+
InChIKeySROFKEDQPGIYND-OVCLIPMQSA-N
XLogP3.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1H-indazole
CID 135483987
o-(1H-pyrazol-3-yl)phenol
CID 819511
1H-Indazol-5-ol
CID 101438
1H-indazol-4-ol
CID 135742450
2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
2-[(1H-indazol-5-ylimino)methyl]-5-methoxyphenol
CID 795042
2,4-dibromo-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 1087466
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155544706
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-(1H-indazol-6-yl)phenol
CID 136301774
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2-(1H-indazol-5-yliminomethyl)phenol (CID 795023) is 2-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-(1H-indazol-5-yliminomethyl)phenol is Oc1ccccc1/C=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is SROFKEDQPGIYND-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-4-2-1-3-10(14)8-15-12-5-6-13-11(7-12)9-16-17-13/h1-9,18H,(H,16,17)/b15-8+.
What are the key properties of 2-(1H-indazol-5-yliminomethyl)phenol?
2-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 237.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).