2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile

C9H8ClN3O — CID 135751917

IUPAC2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
SMILESN#CCN/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClN3O/c10-8-1-2-9(14)7(5-8)6-13-12-4-3-11/h1-2,5-6,12,14H,4H2/b13-6+
InChIKeyZNYGBJWSOXGBQE-AWNIVKPZSA-N
MW209.64 g/mol
LogP1.49
Rot. Bonds3

About 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile

2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile (PubChem CID 135751917) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile.

Molecular Properties

Compound Name2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
PubChem CID135751917
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
SMILESN#CCN/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClN3O/c10-8-1-2-9(14)7(5-8)6-13-12-4-3-11/h1-2,5-6,12,14H,4H2/b13-6+
InChIKeyZNYGBJWSOXGBQE-AWNIVKPZSA-N
XLogP1.49
TPSA68.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', '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-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 2315853
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135689902
1-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 4075280
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 136683555
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
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
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile?
The IUPAC name of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile (CID 135751917) is 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile.
What is the SMILES notation for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile?
The canonical SMILES for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile is N#CCN/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile?
The InChIKey is ZNYGBJWSOXGBQE-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-8-1-2-9(14)7(5-8)6-13-12-4-3-11/h1-2,5-6,12,14H,4H2/b13-6+.
What are the key properties of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile?
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile has a molecular weight of 209.64 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile is sourced from PubChem (CID 135751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).