4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine

C13H6ClF3N4 — CID 58945607

IUPAC4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Cl)cnnc2c1
InChIInChI=1S/C13H6ClF3N4/c14-9-6-20-21-10-4-7(5-19-12(9)10)11-8(13(15,16)17)2-1-3-18-11/h1-6H
InChIKeyUQAQESOLQJILCG-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.76
Rot. Bonds1

About 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine

4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine (PubChem CID 58945607) has the molecular formula C13H6ClF3N4 and a molecular weight of 310.67 g/mol. Its IUPAC name is 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine.

Molecular Properties

Compound Name4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
PubChem CID58945607
Molecular FormulaC13H6ClF3N4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC Name4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Cl)cnnc2c1
InChIInChI=1S/C13H6ClF3N4/c14-9-6-20-21-10-4-7(5-19-12(9)10)11-8(13(15,16)17)2-1-3-18-11/h1-6H
InChIKeyUQAQESOLQJILCG-UHFFFAOYSA-N
XLogP3.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine?
The IUPAC name of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine (CID 58945607) is 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine.
What is the SMILES notation for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine?
The canonical SMILES for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine is FC(F)(F)c1cccnc1-c1cnc2c(Cl)cnnc2c1.
What is the InChIKey of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine?
The InChIKey is UQAQESOLQJILCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N4/c14-9-6-20-21-10-4-7(5-19-12(9)10)11-8(13(15,16)17)2-1-3-18-11/h1-6H.
What are the key properties of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine?
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine has a molecular weight of 310.67 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine is sourced from PubChem (CID 58945607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).