2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol

C14H9Cl2N3O — CID 795056

IUPAC2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyFFPXHFXSGTUHLH-UBKPWBPPSA-N
MW306.15 g/mol
LogP4.33
Rot. Bonds2

About 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol

2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 795056) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID795056
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyFFPXHFXSGTUHLH-UBKPWBPPSA-N
XLogP4.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.33
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

2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
2,4-dichloro-6-(1H-pyrazol-5-yl)phenol
CID 4412670
2-[(1H-benzotriazol-6-ylimino)methyl]-4,6-dichlorophenol
CID 135419023
4-chloro-2-(1H-indazol-6-yliminomethyl)phenol
CID 2803081
2-[(1H-indazol-5-ylimino)methyl]-6-methylphenol
CID 795029
Phenol, 2-[(1H-indazol-5-ylimino)methyl]-
CID 795023
2-bromo-4-chloro-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 1087468
4-chloro-2-(1H-indazol-3-yliminomethyl)phenol
CID 4851905
2,4-dichloro-6-[(1H-indazol-5-ylamino)methyl]phenol
CID 1510372
2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol
CID 5303669
4-chloro-2-(1H-indazol-5-yl)phenol
CID 130460833
2-amino-6-(1H-indazol-5-yliminomethyl)phenol
CID 137144974

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol (CID 795056) is 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is FFPXHFXSGTUHLH-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+.
What are the key properties of 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol?
2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 306.15 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 795056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).