2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol

C13H8Cl2N4O — CID 135419023

IUPAC2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H8Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-6,20H,(H,17,18,19)/b16-6+
InChIKeyAZLPTVNIEKCKBY-OMCISZLKSA-N
MW307.14 g/mol
LogP3.72
Rot. Bonds2

About 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol

2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol (PubChem CID 135419023) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol
PubChem CID135419023
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H8Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-6,20H,(H,17,18,19)/b16-6+
InChIKeyAZLPTVNIEKCKBY-OMCISZLKSA-N
XLogP3.72
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichloro-phenol
CID 11771269
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-4-chlorophenol
CID 779833
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol
CID 779544
2,4-dichloro-6-[(E)-(1H-indazol-5-ylimino)methyl]phenol
CID 795056
6-(Salicylideneamino)-1H-benzotriazole
CID 548523
6-[(3-Allylsalicylidene)amino]-1H-benzotriazole
CID 624125
2-(2H-benzotriazol-5-yliminomethyl)-6-chloro-4-methylphenol
CID 135988538
2-(2H-benzotriazol-5-yliminomethyl)-4-chlorophenol
CID 136422154
CID 136422176
CID 136422176
CID 136613728
CID 136613728
CID 136620755
CID 136620755
2-(2H-benzotriazol-5-yliminomethyl)-6-bromo-4-chlorophenol
CID 136960014

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol?
The IUPAC name of 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol (CID 135419023) is 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol?
The canonical SMILES for 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2n[nH]nc2c1.
What is the InChIKey of 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol?
The InChIKey is AZLPTVNIEKCKBY-OMCISZLKSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-6,20H,(H,17,18,19)/b16-6+.
What are the key properties of 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol?
2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol has a molecular weight of 307.14 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-5-yliminomethyl)-4,6-dichlorophenol is sourced from PubChem (CID 135419023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).