4-chloro-2-methoxypyridine-3-carbaldehyde

C7H6ClNO2 — CID 53407928

IUPAC4-chloro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nccc(Cl)c1C=O
InChIInChI=1S/C7H6ClNO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3
InChIKeyFURZPPOFSODEOQ-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.56
Rot. Bonds2

About 4-chloro-2-methoxypyridine-3-carbaldehyde

4-chloro-2-methoxypyridine-3-carbaldehyde (PubChem CID 53407928) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 4-chloro-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methoxypyridine-3-carbaldehyde
PubChem CID53407928
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name4-chloro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nccc(Cl)c1C=O
InChIInChI=1S/C7H6ClNO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3
InChIKeyFURZPPOFSODEOQ-UHFFFAOYSA-N
XLogP1.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-2-methoxypyridine-3-carbaldehyde (CID 53407928) is 4-chloro-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-methoxypyridine-3-carbaldehyde is COc1nccc(Cl)c1C=O.
What is the InChIKey of 4-chloro-2-methoxypyridine-3-carbaldehyde?
The InChIKey is FURZPPOFSODEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3.
What are the key properties of 4-chloro-2-methoxypyridine-3-carbaldehyde?
4-chloro-2-methoxypyridine-3-carbaldehyde has a molecular weight of 171.58 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 53407928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).