6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid

C11H6F3N3O2 — CID 91926757

IUPAC6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)7-5-8(6-1-3-15-4-2-6)16-17-9(7)10(18)19/h1-5H,(H,18,19)
InChIKeyWZHOEPJXEGGHBA-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.26
Rot. Bonds2

About 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid

6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid (PubChem CID 91926757) has the molecular formula C11H6F3N3O2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid
PubChem CID91926757
Molecular FormulaC11H6F3N3O2
Molecular Weight269.18 g/mol
Exact Mass269.04
IUPAC Name6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)7-5-8(6-1-3-15-4-2-6)16-17-9(7)10(18)19/h1-5H,(H,18,19)
InChIKeyWZHOEPJXEGGHBA-UHFFFAOYSA-N
XLogP2.26
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid (CID 91926757) is 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid is O=C(O)c1nnc(-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid?
The InChIKey is WZHOEPJXEGGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O2/c12-11(13,14)7-5-8(6-1-3-15-4-2-6)16-17-9(7)10(18)19/h1-5H,(H,18,19).
What are the key properties of 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid?
6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid has a molecular weight of 269.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-4-(trifluoromethyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 91926757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).