1-chloronaphthalene-2-carbaldehyde

C11H7ClO — CID 11275525

IUPAC1-chloronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1Cl
InChIInChI=1S/C11H7ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKeyDUKJZYZDOKKAMU-UHFFFAOYSA-N
MW190.63 g/mol
LogP3.31
Rot. Bonds1

About 1-chloronaphthalene-2-carbaldehyde

1-chloronaphthalene-2-carbaldehyde (PubChem CID 11275525) has the molecular formula C11H7ClO and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-chloronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-chloronaphthalene-2-carbaldehyde
PubChem CID11275525
Molecular FormulaC11H7ClO
Molecular Weight190.63 g/mol
Exact Mass190.02
IUPAC Name1-chloronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1Cl
InChIInChI=1S/C11H7ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKeyDUKJZYZDOKKAMU-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalene-2-carbaldehyde?
The IUPAC name of 1-chloronaphthalene-2-carbaldehyde (CID 11275525) is 1-chloronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-chloronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-chloronaphthalene-2-carbaldehyde is O=Cc1ccc2ccccc2c1Cl.
What is the InChIKey of 1-chloronaphthalene-2-carbaldehyde?
The InChIKey is DUKJZYZDOKKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H.
What are the key properties of 1-chloronaphthalene-2-carbaldehyde?
1-chloronaphthalene-2-carbaldehyde has a molecular weight of 190.63 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalene-2-carbaldehyde is sourced from PubChem (CID 11275525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).