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

C13H8ClF2NO2 — CID 167438484

IUPAC6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)nc1F
InChIInChI=1S/C13H8ClF2NO2/c14-10-3-1-9(11(15)5-10)7-19-12-4-2-8(6-18)13(16)17-12/h1-6H,7H2
InChIKeyONLFDJPFZIDQIR-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.40
Rot. Bonds4

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

6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde (PubChem CID 167438484) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde
PubChem CID167438484
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)nc1F
InChIInChI=1S/C13H8ClF2NO2/c14-10-3-1-9(11(15)5-10)7-19-12-4-2-8(6-18)13(16)17-12/h1-6H,7H2
InChIKeyONLFDJPFZIDQIR-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.40
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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Related Compounds

2-Chloro-6-methoxypyridine-3-carbaldehyde
CID 13382638
N-(4-chlorobenzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487803
N3-[(4-chlorophenyl)(imino)methyl]-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 2746683
6-Chloro-2-(4-fluorophenoxy)-4-methylpyridine-3-carboxamide
CID 686763
6-(Benzyloxy)nicotinaldehyde
CID 21102205
6-(4-Chlorophenoxy)pyridine-3-carbaldehyde
CID 23433264
1-(6-Chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone
CID 57394963
3-Pyridinecarbonitrile, 6-chloro-2-ethoxy-5-formyl-4-phenyl-
CID 11808293
6-(Cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde
CID 58047334
Tert-butyl 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368255
4-(6-Fluoro-5-formyl-pyridin-2-yloxy)-benzoic acid methyl ester
CID 58834996
6-(4-Fluoro-benzyloxy)-pyridine-3-carbaldehyde
CID 59255111

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde (CID 167438484) is 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2F)nc1F.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde?
The InChIKey is ONLFDJPFZIDQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-10-3-1-9(11(15)5-10)7-19-12-4-2-8(6-18)13(16)17-12/h1-6H,7H2.
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde?
6-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoropyridine-3-carbaldehyde has a molecular weight of 283.66 g/mol, XLogP of 3.40, 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]-2-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 167438484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).