2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde

C12H9ClN2O — CID 143393547

IUPAC2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde
SMILESO=CC=NNc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9ClN2O/c13-12-10-4-2-1-3-9(10)5-6-11(12)15-14-7-8-16/h1-8,15H
InChIKeyCLSQEGNOPJXLEI-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.09
Rot. Bonds3

About 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde

2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde (PubChem CID 143393547) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde.

Molecular Properties

Compound Name2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde
PubChem CID143393547
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde
SMILESO=CC=NNc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9ClN2O/c13-12-10-4-2-1-3-9(10)5-6-11(12)15-14-7-8-16/h1-8,15H
InChIKeyCLSQEGNOPJXLEI-UHFFFAOYSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

1-chloro-N-naphthalen-1-ylnaphthalen-2-amine
CID 155635365
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-(1-chloronaphthalen-2-yl)butanal
CID 54391003
N-(1-phenylnaphthalen-2-yl)nitrous amide
CID 141065415
1-chloronaphthalene-2-sulfonic acid
CID 14389107
2-(4-methylanilino)naphthalene-1-carbaldehyde
CID 135023632
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
CID 159979643
1-chloro-2-methylsulfanylnaphthalene
CID 15311205

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde?
The IUPAC name of 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde (CID 143393547) is 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde.
What is the SMILES notation for 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde?
The canonical SMILES for 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde is O=CC=NNc1ccc2ccccc2c1Cl.
What is the InChIKey of 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde?
The InChIKey is CLSQEGNOPJXLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-12-10-4-2-1-3-9(10)5-6-11(12)15-14-7-8-16/h1-8,15H.
What are the key properties of 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde?
2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde has a molecular weight of 232.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chloronaphthalen-2-yl)hydrazinylidene]acetaldehyde is sourced from PubChem (CID 143393547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).