2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

C10H10ClNO — CID 130367486

IUPAC2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(Cl)ccc21
InChIInChI=1S/C10H10ClNO/c11-10-5-4-8-7(6-13)2-1-3-9(8)12-10/h4-7H,1-3H2
InChIKeyKUCWAIWZHXPQQI-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.35
Rot. Bonds1

About 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (PubChem CID 130367486) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
PubChem CID130367486
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(Cl)ccc21
InChIInChI=1S/C10H10ClNO/c11-10-5-4-8-7(6-13)2-1-3-9(8)12-10/h4-7H,1-3H2
InChIKeyKUCWAIWZHXPQQI-UHFFFAOYSA-N
XLogP2.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.35
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-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (CID 130367486) is 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is O=CC1CCCc2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The InChIKey is KUCWAIWZHXPQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-10-5-4-8-7(6-13)2-1-3-9(8)12-10/h4-7H,1-3H2.
What are the key properties of 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde has a molecular weight of 195.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is sourced from PubChem (CID 130367486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).