2-chloro-6-methoxypyridine-3-carbaldehyde

C7H6ClNO2 — CID 13382638

IUPAC2-chloro-6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)c(Cl)n1
InChIInChI=1S/C7H6ClNO2/c1-11-6-3-2-5(4-10)7(8)9-6/h2-4H,1H3
InChIKeyQXHZQUBXMXEKMX-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.56
Rot. Bonds2

About 2-chloro-6-methoxypyridine-3-carbaldehyde

2-chloro-6-methoxypyridine-3-carbaldehyde (PubChem CID 13382638) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-chloro-6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-methoxypyridine-3-carbaldehyde
PubChem CID13382638
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-chloro-6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)c(Cl)n1
InChIInChI=1S/C7H6ClNO2/c1-11-6-3-2-5(4-10)7(8)9-6/h2-4H,1H3
InChIKeyQXHZQUBXMXEKMX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxypyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-methoxypyridine-3-carbaldehyde (CID 13382638) is 2-chloro-6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxypyridine-3-carbaldehyde?
The InChIKey is QXHZQUBXMXEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-11-6-3-2-5(4-10)7(8)9-6/h2-4H,1H3.
What are the key properties of 2-chloro-6-methoxypyridine-3-carbaldehyde?
2-chloro-6-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 2-chloro-6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 13382638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).