4-chloropyridine-2-carbaldehyde

C6H4ClNO — CID 2763166

IUPAC4-chloropyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
InChIKeyNZLNQSUMFSPISS-UHFFFAOYSA-N
MW141.56 g/mol
LogP1.55
Rot. Bonds1

About 4-chloropyridine-2-carbaldehyde

4-chloropyridine-2-carbaldehyde (PubChem CID 2763166) has the molecular formula C6H4ClNO and a molecular weight of 141.56 g/mol. Its IUPAC name is 4-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloropyridine-2-carbaldehyde
PubChem CID2763166
Molecular FormulaC6H4ClNO
Molecular Weight141.56 g/mol
Exact Mass141.00
IUPAC Name4-chloropyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
InChIKeyNZLNQSUMFSPISS-UHFFFAOYSA-N
XLogP1.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylpyridine
CID 14286
2-Pyridinecarboxaldehyde
CID 14273
Lazabemide
CID 71307
Lazabemide Hydrochloride
CID 163727
4-Chloropicolinic acid hydrazide
CID 72711
4-Chloro-N-methylpicolinamide
CID 1476814
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
4-chloropyridine-2-carbonyl Chloride
CID 11095146
4-Chloro-N,N-diethylpyridine-2-carboxamide
CID 2531799
Picolinoyl Chloride Hydrochloride
CID 135033
4-Chloropyridine-2-carboxamide
CID 303543
6-Chloropyridine-3-carbaldehyde
CID 2764053

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carbaldehyde?
The IUPAC name of 4-chloropyridine-2-carbaldehyde (CID 2763166) is 4-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloropyridine-2-carbaldehyde?
The canonical SMILES for 4-chloropyridine-2-carbaldehyde is O=Cc1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carbaldehyde?
The InChIKey is NZLNQSUMFSPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H.
What are the key properties of 4-chloropyridine-2-carbaldehyde?
4-chloropyridine-2-carbaldehyde has a molecular weight of 141.56 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 2763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).