4-chloro-3-methanehydrazonoylphenol

C7H7ClN2O — CID 168529180

IUPAC4-chloro-3-methanehydrazonoylphenol
SMILESNN=Cc1cc(O)ccc1Cl
InChIInChI=1S/C7H7ClN2O/c8-7-2-1-6(11)3-5(7)4-10-9/h1-4,11H,9H2
InChIKeyVGCNUIWPAHYJNY-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.34
Rot. Bonds1

About 4-chloro-3-methanehydrazonoylphenol

4-chloro-3-methanehydrazonoylphenol (PubChem CID 168529180) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-3-methanehydrazonoylphenol.

Molecular Properties

Compound Name4-chloro-3-methanehydrazonoylphenol
PubChem CID168529180
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-3-methanehydrazonoylphenol
SMILESNN=Cc1cc(O)ccc1Cl
InChIInChI=1S/C7H7ClN2O/c8-7-2-1-6(11)3-5(7)4-10-9/h1-4,11H,9H2
InChIKeyVGCNUIWPAHYJNY-UHFFFAOYSA-N
XLogP1.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
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4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
CID 25269240
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
6-methanehydrazonoylnaphthalen-2-ol
CID 168529018
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
5-(3,5-dichlorophenyl)-2-methanehydrazonoylphenol
CID 168530020
4-chlorobenzene-1,3-diol
CID 1731
bis(3,4-dichlorophenol);zirconium
CID 161397670
3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
CID 168531233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methanehydrazonoylphenol?
The IUPAC name of 4-chloro-3-methanehydrazonoylphenol (CID 168529180) is 4-chloro-3-methanehydrazonoylphenol.
What is the SMILES notation for 4-chloro-3-methanehydrazonoylphenol?
The canonical SMILES for 4-chloro-3-methanehydrazonoylphenol is NN=Cc1cc(O)ccc1Cl.
What is the InChIKey of 4-chloro-3-methanehydrazonoylphenol?
The InChIKey is VGCNUIWPAHYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-7-2-1-6(11)3-5(7)4-10-9/h1-4,11H,9H2.
What are the key properties of 4-chloro-3-methanehydrazonoylphenol?
4-chloro-3-methanehydrazonoylphenol has a molecular weight of 170.60 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methanehydrazonoylphenol is sourced from PubChem (CID 168529180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).