2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile

C14H10Cl2N4O — CID 9232173

IUPAC2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N4O/c15-11-7-13(16)14(18-9-11)20-19-8-10-1-3-12(4-2-10)21-6-5-17/h1-4,7-9H,6H2,(H,18,20)/b19-8-
InChIKeyUEUSKEAZSIUMAN-UWVJOHFNSA-N
MW321.17 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile

2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile (PubChem CID 9232173) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
PubChem CID9232173
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N4O/c15-11-7-13(16)14(18-9-11)20-19-8-10-1-3-12(4-2-10)21-6-5-17/h1-4,7-9H,6H2,(H,18,20)/b19-8-
InChIKeyUEUSKEAZSIUMAN-UWVJOHFNSA-N
XLogP3.74
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3979326
2-[4-[(Z)-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9245447
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
CID 7256549
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5207019
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
CID 4231773
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
1-butyl-3-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 9216342
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217503
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60657586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile (CID 9232173) is 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile is N#CCOc1ccc(/C=N\Nc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
The InChIKey is UEUSKEAZSIUMAN-UWVJOHFNSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-11-7-13(16)14(18-9-11)20-19-8-10-1-3-12(4-2-10)21-6-5-17/h1-4,7-9H,6H2,(H,18,20)/b19-8-.
What are the key properties of 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile?
2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile has a molecular weight of 321.17 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 9232173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).