2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

C8H6Cl2N6O — CID 4050814

IUPAC2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Cl)cc(C=NNc2nn[nH]n2)cc1Cl
InChIInChI=1S/C8H6Cl2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)
InChIKeyVOOFZGBSPCBRAT-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.66
Rot. Bonds3

About 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 4050814) has the molecular formula C8H6Cl2N6O and a molecular weight of 273.08 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID4050814
Molecular FormulaC8H6Cl2N6O
Molecular Weight273.08 g/mol
Exact Mass272.00
IUPAC Name2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Cl)cc(C=NNc2nn[nH]n2)cc1Cl
InChIInChI=1S/C8H6Cl2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)
InChIKeyVOOFZGBSPCBRAT-UHFFFAOYSA-N
XLogP1.66
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-chloro-6-methoxy-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136742487
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
N-[(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4670624
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
[2-methoxy-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenyl] 2-chloro-4,5-difluorobenzoate
CID 6065646
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 4050814) is 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is Oc1c(Cl)cc(C=NNc2nn[nH]n2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is VOOFZGBSPCBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16).
What are the key properties of 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol has a molecular weight of 273.08 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 4050814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).