6-chloropyridine-3-carbaldehyde

C6H4ClNO — CID 2764053

IUPAC6-chloropyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKeyAFWWKZCPPRPDQK-UHFFFAOYSA-N
MW141.56 g/mol
LogP1.55
Rot. Bonds1

About 6-chloropyridine-3-carbaldehyde

6-chloropyridine-3-carbaldehyde (PubChem CID 2764053) has the molecular formula C6H4ClNO and a molecular weight of 141.56 g/mol. Its IUPAC name is 6-chloropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloropyridine-3-carbaldehyde
PubChem CID2764053
Molecular FormulaC6H4ClNO
Molecular Weight141.56 g/mol
Exact Mass141.00
IUPAC Name6-chloropyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKeyAFWWKZCPPRPDQK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Nicotinamide
CID 936
3-Pyridinecarboxaldehyde
CID 10371
3-Acetylpyridine
CID 9589
4-Pyridinecarboxaldehyde
CID 13389
5-Methylpyridine-3-carbaldehyde
CID 14141158
2-Fluoro-5-formylpyridine
CID 16414246
gamma-Oxo-3-pyridinebutanal
CID 115084
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
(2-Chloropyridin-3-yl)(morpholin-4-yl)methanone
CID 2063428
2-Bromonicotinaldehyde
CID 4714951
6-Chloronicotinamide
CID 80456
N-Benzyl-6-chloro-nicotinamide
CID 857488

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbaldehyde?
The IUPAC name of 6-chloropyridine-3-carbaldehyde (CID 2764053) is 6-chloropyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloropyridine-3-carbaldehyde?
The canonical SMILES for 6-chloropyridine-3-carbaldehyde is O=Cc1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-carbaldehyde?
The InChIKey is AFWWKZCPPRPDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO/c7-6-2-1-5(4-9)3-8-6/h1-4H.
What are the key properties of 6-chloropyridine-3-carbaldehyde?
6-chloropyridine-3-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 6-chloropyridine-3-carbaldehyde is sourced from PubChem (CID 2764053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).