6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde

C13H8ClF2NO2 — CID 178141837

IUPAC6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(OCc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-10-2-1-3-11(15)9(10)7-19-13-12(16)4-8(6-18)5-17-13/h1-6H,7H2
InChIKeyVNZQDKJZEDDXNO-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.40
Rot. Bonds4

About 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde

6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde (PubChem CID 178141837) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde
PubChem CID178141837
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(OCc2c(F)cccc2Cl)c(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-10-2-1-3-11(15)9(10)7-19-13-12(16)4-8(6-18)5-17-13/h1-6H,7H2
InChIKeyVNZQDKJZEDDXNO-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(4-Fluorophenoxy)pyridine-3-carbaldehyde
CID 3382953
(2-Chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
CID 2429893
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
CID 2574091
6-(4-Methylphenoxy)nicotinaldehyde
CID 2764054
N-(2,4-dichlorobenzyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 16725813
N-(2-chlorobenzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487802
N-(4-chlorobenzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487803
(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
CID 127035266
(2-Chloro-6-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 2457883
N3-[(4-chlorophenyl)(imino)methyl]-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 2746683
(2-Fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
6-(Benzyloxy)pyridine-3-carboxamide
CID 252472

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde (CID 178141837) is 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde is O=Cc1cnc(OCc2c(F)cccc2Cl)c(F)c1.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde?
The InChIKey is VNZQDKJZEDDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-10-2-1-3-11(15)9(10)7-19-13-12(16)4-8(6-18)5-17-13/h1-6H,7H2.
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde?
6-[(2-chloro-6-fluorophenyl)methoxy]-5-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-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 178141837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).