2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol

C14H10ClN3O3 — CID 136732744

IUPAC2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(Cl)cc1/C=N/N=C\c1ccccc1O
InChIInChI=1S/C14H10ClN3O3/c15-12-5-6-13(18(20)21)11(7-12)9-17-16-8-10-3-1-2-4-14(10)19/h1-9,19H/b16-8-,17-9+
InChIKeyGAWDDXXURLKERJ-VAQFQWRASA-N
MW303.71 g/mol
LogP3.41
Rot. Bonds4

About 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol

2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 136732744) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID136732744
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(Cl)cc1/C=N/N=C\c1ccccc1O
InChIInChI=1S/C14H10ClN3O3/c15-12-5-6-13(18(20)21)11(7-12)9-17-16-8-10-3-1-2-4-14(10)19/h1-9,19H/b16-8-,17-9+
InChIKeyGAWDDXXURLKERJ-VAQFQWRASA-N
XLogP3.41
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine
CID 141425579
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 135689879
4-chloro-2-[2-(2-nitroanilino)ethyliminomethyl]phenol
CID 135787773
(E)-3-(5-chloro-2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 10732055
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 602317
(Z)-3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 97115039
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol (CID 136732744) is 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(Cl)cc1/C=N/N=C\c1ccccc1O.
What is the InChIKey of 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is GAWDDXXURLKERJ-VAQFQWRASA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-12-5-6-13(18(20)21)11(7-12)9-17-16-8-10-3-1-2-4-14(10)19/h1-9,19H/b16-8-,17-9+.
What are the key properties of 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 303.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 136732744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).