6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde

C6H8ClNO — CID 88920066

IUPAC6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CCCC=C1Cl
InChIInChI=1S/C6H8ClNO/c7-6-3-1-2-4-8(6)5-9/h3,5H,1-2,4H2
InChIKeyRLQQQIXCUSFZJK-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.32
Rot. Bonds1

About 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde

6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 88920066) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID88920066
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CCCC=C1Cl
InChIInChI=1S/C6H8ClNO/c7-6-3-1-2-4-8(6)5-9/h3,5H,1-2,4H2
InChIKeyRLQQQIXCUSFZJK-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde (CID 88920066) is 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CCCC=C1Cl.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is RLQQQIXCUSFZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c7-6-3-1-2-4-8(6)5-9/h3,5H,1-2,4H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde?
6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 145.59 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 88920066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).