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

C13H7ClF3NO2 — CID 59584989

IUPAC2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC(F)(F)F)c2)nc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-12-9(7-19)4-5-11(18-12)8-2-1-3-10(6-8)20-13(15,16)17/h1-7H
InChIKeyVWGZWENYEMVSFS-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.11
Rot. Bonds3

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

2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (PubChem CID 59584989) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
PubChem CID59584989
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC(F)(F)F)c2)nc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-12-9(7-19)4-5-11(18-12)8-2-1-3-10(6-8)20-13(15,16)17/h1-7H
InChIKeyVWGZWENYEMVSFS-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 54.11
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-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde (CID 59584989) is 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is O=Cc1ccc(-c2cccc(OC(F)(F)F)c2)nc1Cl.
What is the InChIKey of 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
The InChIKey is VWGZWENYEMVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-12-9(7-19)4-5-11(18-12)8-2-1-3-10(6-8)20-13(15,16)17/h1-7H.
What are the key properties of 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde?
2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde has a molecular weight of 301.65 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 59584989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).