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

C12H9ClF3N3O — CID 88938063

IUPACazane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESN.O=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H6ClF3N2O.H3N/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16;/h1-6H;1H3
InChIKeyXVEUFOLCIFAYJG-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.79
Rot. Bonds2

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

azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 88938063) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Nameazane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
PubChem CID88938063
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Nameazane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESN.O=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H6ClF3N2O.H3N/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16;/h1-6H;1H3
InChIKeyXVEUFOLCIFAYJG-UHFFFAOYSA-N
XLogP3.79
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (CID 88938063) is azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is N.O=Cc1nc(-c2ccc(C(F)(F)F)nc2)ccc1Cl.
What is the InChIKey of azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is XVEUFOLCIFAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O.H3N/c13-8-2-3-9(18-10(8)6-19)7-1-4-11(17-5-7)12(14,15)16;/h1-6H;1H3.
What are the key properties of azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 303.67 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 88938063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).