5-chloro-2H-pyridine-1-carbaldehyde

C6H6ClNO — CID 139969812

IUPAC5-chloro-2H-pyridine-1-carbaldehyde
SMILESO=CN1C=C(Cl)C=CC1
InChIInChI=1S/C6H6ClNO/c7-6-2-1-3-8(4-6)5-9/h1-2,4-5H,3H2
InChIKeyIWIMCAPBKGNFFH-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.09
Rot. Bonds1

About 5-chloro-2H-pyridine-1-carbaldehyde

5-chloro-2H-pyridine-1-carbaldehyde (PubChem CID 139969812) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 5-chloro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2H-pyridine-1-carbaldehyde
PubChem CID139969812
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name5-chloro-2H-pyridine-1-carbaldehyde
SMILESO=CN1C=C(Cl)C=CC1
InChIInChI=1S/C6H6ClNO/c7-6-2-1-3-8(4-6)5-9/h1-2,4-5H,3H2
InChIKeyIWIMCAPBKGNFFH-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.09
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 5-chloro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 5-chloro-2H-pyridine-1-carbaldehyde (CID 139969812) is 5-chloro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 5-chloro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 5-chloro-2H-pyridine-1-carbaldehyde is O=CN1C=C(Cl)C=CC1.
What is the InChIKey of 5-chloro-2H-pyridine-1-carbaldehyde?
The InChIKey is IWIMCAPBKGNFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-6-2-1-3-8(4-6)5-9/h1-2,4-5H,3H2.
What are the key properties of 5-chloro-2H-pyridine-1-carbaldehyde?
5-chloro-2H-pyridine-1-carbaldehyde has a molecular weight of 143.57 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 139969812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).