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

C14H10ClF2NO2 — CID 178141539

IUPAC6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(OCc2c(F)cccc2Cl)c(F)cc1C=O
InChIInChI=1S/C14H10ClF2NO2/c1-8-9(6-19)5-13(17)14(18-8)20-7-10-11(15)3-2-4-12(10)16/h2-6H,7H2,1H3
InChIKeyBWNPEQOIPZZQBV-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.71
Rot. Bonds4

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

6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde (PubChem CID 178141539) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde
PubChem CID178141539
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(OCc2c(F)cccc2Cl)c(F)cc1C=O
InChIInChI=1S/C14H10ClF2NO2/c1-8-9(6-19)5-13(17)14(18-8)20-7-10-11(15)3-2-4-12(10)16/h2-6H,7H2,1H3
InChIKeyBWNPEQOIPZZQBV-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.71
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

5-(4-Chloro-phenyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinic acid
CID 86634805
Ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2746347
6-(Tert-butoxy)-2-methylpyridine-3-carbaldehyde
CID 131491994
3-Pyridinecarbonitrile, 6-chloro-2-ethoxy-5-formyl-4-phenyl-
CID 11808293
5-(1,1-Difluoroethyl)-6-methyl-2-phenylmethoxypyridine-3-carbaldehyde
CID 21690535
2-[(2-Chlorophenyl)methoxy]-6-methyl-4-(trifluoromethyl)pyridine
CID 23380551
Tert-butyl 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368255
Methyl 6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxylate
CID 58368256
3-Fluoro-4-(5-formyl-6-methyl-pyridin-2-yloxy)-benzonitrile
CID 58835227
2-(2-Chlorophenoxy)-6-(2,3-difluorophenyl)nicotinaldehyde
CID 59584976
2-(2-Chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
CID 59584980
2-(5-Chloro-2-methylphenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 59584996

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde (CID 178141539) is 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde is Cc1nc(OCc2c(F)cccc2Cl)c(F)cc1C=O.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde?
The InChIKey is BWNPEQOIPZZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-8-9(6-19)5-13(17)14(18-8)20-7-10-11(15)3-2-4-12(10)16/h2-6H,7H2,1H3.
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde?
6-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylpyridine-3-carbaldehyde has a molecular weight of 297.69 g/mol, XLogP of 3.71, 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-fluoro-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 178141539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).