2-chloronaphthalene-1-carbaldehyde

C11H7ClO — CID 19065818

IUPAC2-chloronaphthalene-1-carbaldehyde
SMILESO=Cc1c(Cl)ccc2ccccc12
InChIInChI=1S/C11H7ClO/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-13/h1-7H
InChIKeyIVKPBNVMLKJSFG-UHFFFAOYSA-N
MW190.63 g/mol
LogP3.31
Rot. Bonds1

About 2-chloronaphthalene-1-carbaldehyde

2-chloronaphthalene-1-carbaldehyde (PubChem CID 19065818) has the molecular formula C11H7ClO and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-chloronaphthalene-1-carbaldehyde
PubChem CID19065818
Molecular FormulaC11H7ClO
Molecular Weight190.63 g/mol
Exact Mass190.02
IUPAC Name2-chloronaphthalene-1-carbaldehyde
SMILESO=Cc1c(Cl)ccc2ccccc12
InChIInChI=1S/C11H7ClO/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-13/h1-7H
InChIKeyIVKPBNVMLKJSFG-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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Related Compounds

2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
CID 87584563
(1-formylnaphthalen-2-yl) 2,2,2-trichloroacetate
CID 39199916
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
2-chloro-3-(2-chloroethyl)naphthalene-1-carbaldehyde
CID 25136411
2-chloro-3H-benzo[e]indole-1-carbaldehyde
CID 4210313
(1-formylnaphthalen-2-yl) acetate
CID 2063426
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454

Frequently Asked Questions

What is the IUPAC name of 2-chloronaphthalene-1-carbaldehyde?
The IUPAC name of 2-chloronaphthalene-1-carbaldehyde (CID 19065818) is 2-chloronaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-chloronaphthalene-1-carbaldehyde?
The canonical SMILES for 2-chloronaphthalene-1-carbaldehyde is O=Cc1c(Cl)ccc2ccccc12.
What is the InChIKey of 2-chloronaphthalene-1-carbaldehyde?
The InChIKey is IVKPBNVMLKJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-13/h1-7H.
What are the key properties of 2-chloronaphthalene-1-carbaldehyde?
2-chloronaphthalene-1-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 2-chloronaphthalene-1-carbaldehyde is sourced from PubChem (CID 19065818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).