5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine

C8H6ClF3N2O — CID 175745246

IUPAC5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
SMILESC=C(c1nncc(Cl)c1OC)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)6-7(15-2)5(9)3-13-14-6/h3H,1H2,2H3
InChIKeyAWQVUOIGFRHAKN-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine

5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine (PubChem CID 175745246) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine.

Molecular Properties

Compound Name5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
PubChem CID175745246
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
SMILESC=C(c1nncc(Cl)c1OC)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)6-7(15-2)5(9)3-13-14-6/h3H,1H2,2H3
InChIKeyAWQVUOIGFRHAKN-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The IUPAC name of 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine (CID 175745246) is 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine.
What is the SMILES notation for 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The canonical SMILES for 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine is C=C(c1nncc(Cl)c1OC)C(F)(F)F.
What is the InChIKey of 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The InChIKey is AWQVUOIGFRHAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)6-7(15-2)5(9)3-13-14-6/h3H,1H2,2H3.
What are the key properties of 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine has a molecular weight of 238.60 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine is sourced from PubChem (CID 175745246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).