1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C16H13F3N4O — CID 158007639

IUPAC1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(=O)c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H6F3N3.C7H7NO/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6(9)7-4-2-3-5-8-7/h1-5H,(H,14,15);2-5H,1H3
InChIKeyFEMIKMWYZZGYQE-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.77
Rot. Bonds2

About 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 158007639) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID158007639
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(=O)c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H6F3N3.C7H7NO/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6(9)7-4-2-3-5-8-7/h1-5H,(H,14,15);2-5H,1H3
InChIKeyFEMIKMWYZZGYQE-UHFFFAOYSA-N
XLogP3.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 158007639) is 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CC(=O)c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is FEMIKMWYZZGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3.C7H7NO/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-6(9)7-4-2-3-5-8-7/h1-5H,(H,14,15);2-5H,1H3.
What are the key properties of 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 334.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethanone;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 158007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).