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

C12H6ClF3N2O — CID 86671312

IUPAC3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H6ClF3N2O/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16/h1-6H
InChIKeyZGALGBCLWZGFPS-UHFFFAOYSA-N
MW286.64 g/mol
LogP3.63
Rot. Bonds2

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

3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 86671312) has the molecular formula C12H6ClF3N2O and a molecular weight of 286.64 g/mol. Its IUPAC name is 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
PubChem CID86671312
Molecular FormulaC12H6ClF3N2O
Molecular Weight286.64 g/mol
Exact Mass286.01
IUPAC Name3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H6ClF3N2O/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16/h1-6H
InChIKeyZGALGBCLWZGFPS-UHFFFAOYSA-N
XLogP3.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (CID 86671312) is 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is O=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is ZGALGBCLWZGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16/h1-6H.
What are the key properties of 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 286.64 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 86671312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).