4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

C8H7ClN6O — CID 135684788

IUPAC4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nn[nH]n1
InChIInChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/b10-4+
InChIKeyVJFSCMPVCARPJJ-ONNFQVAWSA-N
MW238.64 g/mol
LogP1.00
Rot. Bonds3

About 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 135684788) has the molecular formula C8H7ClN6O and a molecular weight of 238.64 g/mol. Its IUPAC name is 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID135684788
Molecular FormulaC8H7ClN6O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Nc1nn[nH]n1
InChIInChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/b10-4+
InChIKeyVJFSCMPVCARPJJ-ONNFQVAWSA-N
XLogP1.00
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7202940
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648
4-chloro-2-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135588733
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 155905758
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 166685113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 135684788) is 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is Oc1ccc(Cl)cc1/C=N/Nc1nn[nH]n1.
What is the InChIKey of 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is VJFSCMPVCARPJJ-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-10-11-8-12-14-15-13-8/h1-4,16H,(H2,11,12,13,14,15)/b10-4+.
What are the key properties of 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol has a molecular weight of 238.64 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135684788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).