2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde

C14H8ClF4NO2 — CID 163233263

IUPAC2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc(OCc2ccccc2)c(F)c1C(F)(F)F
InChIInChI=1S/C14H8ClF4NO2/c15-12-9(6-21)10(14(17,18)19)11(16)13(20-12)22-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyOANIHPSTVGEHJS-UHFFFAOYSA-N
MW333.67 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde

2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 163233263) has the molecular formula C14H8ClF4NO2 and a molecular weight of 333.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID163233263
Molecular FormulaC14H8ClF4NO2
Molecular Weight333.67 g/mol
Exact Mass333.02
IUPAC Name2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc(OCc2ccccc2)c(F)c1C(F)(F)F
InChIInChI=1S/C14H8ClF4NO2/c15-12-9(6-21)10(14(17,18)19)11(16)13(20-12)22-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyOANIHPSTVGEHJS-UHFFFAOYSA-N
XLogP4.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 163233263) is 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(Cl)nc(OCc2ccccc2)c(F)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is OANIHPSTVGEHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO2/c15-12-9(6-21)10(14(17,18)19)11(16)13(20-12)22-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 333.67 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-phenylmethoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 163233263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).