2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine

C24H17Cl2N3O2 — CID 158353421

IUPAC2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine
SMILESO=Cc1c(Cl)cccc1-c1ccncc1.ON=Cc1c(Cl)cccc1-c1ccncc1
InChIInChI=1S/C12H9ClN2O.C12H8ClNO/c13-12-3-1-2-10(11(12)8-15-16)9-4-6-14-7-5-9;13-12-3-1-2-10(11(12)8-15)9-4-6-14-7-5-9/h1-8,16H;1-8H
InChIKeyGSPAZVPKKMVOGH-UHFFFAOYSA-N
MW450.33 g/mol
LogP6.42
Rot. Bonds4

About 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine

2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine (PubChem CID 158353421) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine
PubChem CID158353421
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC Name2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine
SMILESO=Cc1c(Cl)cccc1-c1ccncc1.ON=Cc1c(Cl)cccc1-c1ccncc1
InChIInChI=1S/C12H9ClN2O.C12H8ClNO/c13-12-3-1-2-10(11(12)8-15-16)9-4-6-14-7-5-9;13-12-3-1-2-10(11(12)8-15)9-4-6-14-7-5-9/h1-8,16H;1-8H
InChIKeyGSPAZVPKKMVOGH-UHFFFAOYSA-N
XLogP6.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine
CID 154334394
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
CID 134622694
N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine
CID 73410829
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
2-chloro-6-iodobenzaldehyde
CID 58951891
4-(2-methyl-3-methylsulfonylphenyl)pyridine
CID 57448063
3,4-dipyridin-4-ylbenzaldehyde
CID 46316389
4-(3-chloroazulen-1-yl)pyridine
CID 127025394
3-chloro-1-pyridin-4-ylisoquinoline-4-carbaldehyde
CID 23467882
3-(2,3-dichlorophenyl)-2,6-dimethyl-5-pyridin-4-ylpyridine
CID 56983111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine?
The IUPAC name of 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine (CID 158353421) is 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine?
The canonical SMILES for 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine is O=Cc1c(Cl)cccc1-c1ccncc1.ON=Cc1c(Cl)cccc1-c1ccncc1.
What is the InChIKey of 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine?
The InChIKey is GSPAZVPKKMVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O.C12H8ClNO/c13-12-3-1-2-10(11(12)8-15-16)9-4-6-14-7-5-9;13-12-3-1-2-10(11(12)8-15)9-4-6-14-7-5-9/h1-8,16H;1-8H.
What are the key properties of 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine?
2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine has a molecular weight of 450.33 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-4-ylbenzaldehyde;N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 158353421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).