4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol

C13H10ClN3O3 — CID 4071998

IUPAC4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C13H10ClN3O3/c14-10-6-9(13(18)12(7-10)17(19)20)8-15-16-11-4-2-1-3-5-11/h1-8,16,18H
InChIKeyHEQUNZHNPDAVDZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.40
Rot. Bonds4

About 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol

4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 4071998) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
PubChem CID4071998
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C13H10ClN3O3/c14-10-6-9(13(18)12(7-10)17(19)20)8-15-16-11-4-2-1-3-5-11/h1-8,16,18H
InChIKeyHEQUNZHNPDAVDZ-UHFFFAOYSA-N
XLogP3.40
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
CID 169383722
(2S)-2-anilino-N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]butanamide
CID 135750371
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
3-acetamido-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171136007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol (CID 4071998) is 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2)c1O.
What is the InChIKey of 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is HEQUNZHNPDAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-6-9(13(18)12(7-10)17(19)20)8-15-16-11-4-2-1-3-5-11/h1-8,16,18H.
What are the key properties of 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol?
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 291.69 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 4071998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).