2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde

C14H9ClF3NO2 — CID 177245669

IUPAC2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(C(F)(F)F)c2)nc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-13-10(7-20)4-5-12(19-13)21-8-9-2-1-3-11(6-9)14(16,17)18/h1-7H,8H2
InChIKeyABECWTONWZCIRH-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde

2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 177245669) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
PubChem CID177245669
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(C(F)(F)F)c2)nc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-13-10(7-20)4-5-12(19-13)21-8-9-2-1-3-11(6-9)14(16,17)18/h1-7H,8H2
InChIKeyABECWTONWZCIRH-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.15
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
6-(Benzyloxy)nicotinaldehyde
CID 21102205
6-(4-Chlorophenoxy)pyridine-3-carbaldehyde
CID 23433264
3-Pyridinecarbonitrile, 6-chloro-2-ethoxy-5-formyl-4-phenyl-
CID 11808293
Tert-butyl 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368255
6-(4-Fluoro-benzyloxy)-pyridine-3-carbaldehyde
CID 59255111
4-[(6-Fluoro-2-pyridinyl)oxymethyl]benzaldehyde
CID 59255507
6-(3-(Trifluoromethyl)benzyloxy)nicotinaldehyde
CID 59451723
2-Chloro-6-(3-(trifluoromethoxy)phenyl)nicotinaldehyde
CID 59584989
2-(2-Chlorophenoxy)-6-[3-(trifluoromethyl)phenyl]nicotinaldehyde
CID 59585002
2-Chloro-6-(2-fluoro-3-methoxyphenyl)pyridine-3-carbaldehyde
CID 59585048
2-Chloro-6-(4-trifluoromethoxyphenoxy)nicotinic acid ethyl ester
CID 86665954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde (CID 177245669) is 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2cccc(C(F)(F)F)c2)nc1Cl.
What is the InChIKey of 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is ABECWTONWZCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-13-10(7-20)4-5-12(19-13)21-8-9-2-1-3-11(6-9)14(16,17)18/h1-7H,8H2.
What are the key properties of 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde?
2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 315.68 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 177245669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).