6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde

C13H9ClFNO2 — CID 175862949

IUPAC6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)nc1
InChIInChI=1S/C13H9ClFNO2/c14-11-3-2-10(12(15)5-11)8-18-13-4-1-9(7-17)6-16-13/h1-7H,8H2
InChIKeyPCQOWSIOPVHPIX-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.27
Rot. Bonds4

About 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde

6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 175862949) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde
PubChem CID175862949
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)nc1
InChIInChI=1S/C13H9ClFNO2/c14-11-3-2-10(12(15)5-11)8-18-13-4-1-9(7-17)6-16-13/h1-7H,8H2
InChIKeyPCQOWSIOPVHPIX-UHFFFAOYSA-N
XLogP3.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.27
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-(4-Chlorophenoxy)nicotinamide
CID 2774902
4-(4'-Chlorobenzyloxy)benzyl nicotinate
CID 124998
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
6-(4-Fluorophenoxy)pyridine-3-carbaldehyde
CID 3382953
Nicotinic acid, (4-chlorophenyl)methyl ester
CID 533049
(4-Fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2392805
(2-Chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2429893
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
CID 2574091
O1-{[6-(2,2,2-trifluoroethoxy)-3-pyridyl]carbonyl}-4-chlorobenzene-1-carbohydroximamide
CID 9581056
6-(4-Methylphenoxy)nicotinaldehyde
CID 2764054
N-(2,4-dichlorobenzyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 16725813

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde (CID 175862949) is 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2F)nc1.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is PCQOWSIOPVHPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-3-2-10(12(15)5-11)8-18-13-4-1-9(7-17)6-16-13/h1-7H,8H2.
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 265.67 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 175862949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).