6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde

C13H10ClNO2 — CID 175347635

IUPAC6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2ccccc2Cl)ccc1C=O
InChIInChI=1S/C13H10ClNO2/c1-17-13-9(8-16)6-7-12(15-13)10-4-2-3-5-11(10)14/h2-8H,1H3
InChIKeyQVYSJHYLIFVGBB-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.22
Rot. Bonds3

About 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde

6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde (PubChem CID 175347635) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
PubChem CID175347635
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2ccccc2Cl)ccc1C=O
InChIInChI=1S/C13H10ClNO2/c1-17-13-9(8-16)6-7-12(15-13)10-4-2-3-5-11(10)14/h2-8H,1H3
InChIKeyQVYSJHYLIFVGBB-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-methoxyquinoline-3-carbaldehyde
CID 689079
2-Methoxyquinoline-3-carbaldehyde
CID 838868
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester
CID 10127751
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinamide
CID 10216983
2-Ethoxyquinoline-3-carbaldehyde
CID 2404988
rac-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2H-pyrano[2,3-b]pyridin-4(3H)-one
CID 46890855
7-phenethyl-2H-pyrano[2,3-b]pyridin-4(3H)-one
CID 53318410
2-Chloro-7-methoxyquinoline-3-carbaldehyde
CID 2064010
2-Methoxy-6-methylquinoline-3-carbaldehyde
CID 6484202
Ethyl 6-(4-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 900918
6-Chloro-2-methoxypyridine-3-carbaldehyde
CID 10855945

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde (CID 175347635) is 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2ccccc2Cl)ccc1C=O.
What is the InChIKey of 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde?
The InChIKey is QVYSJHYLIFVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-17-13-9(8-16)6-7-12(15-13)10-4-2-3-5-11(10)14/h2-8H,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde?
6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde has a molecular weight of 247.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 175347635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).