2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde

C12H10ClNO — CID 116997865

IUPAC2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
SMILESCc1cc2cc(CC=O)ccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c1-8-6-10-7-9(4-5-15)2-3-11(10)14-12(8)13/h2-3,5-7H,4H2,1H3
InChIKeyLFSORDHRUAVXAQ-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.94
Rot. Bonds2

About 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde

2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde (PubChem CID 116997865) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
PubChem CID116997865
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
SMILESCc1cc2cc(CC=O)ccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c1-8-6-10-7-9(4-5-15)2-3-11(10)14-12(8)13/h2-3,5-7H,4H2,1H3
InChIKeyLFSORDHRUAVXAQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde?
The IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde (CID 116997865) is 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde is Cc1cc2cc(CC=O)ccc2nc1Cl.
What is the InChIKey of 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde?
The InChIKey is LFSORDHRUAVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-8-6-10-7-9(4-5-15)2-3-11(10)14-12(8)13/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde?
2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde has a molecular weight of 219.67 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde is sourced from PubChem (CID 116997865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).