pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone

C12H7F3N2O — CID 139764799

IUPACpyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccnc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)9-4-2-6-17-10(9)11(18)8-3-1-5-16-7-8/h1-7H
InChIKeyQIRWKBRHHHOCGI-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.73
Rot. Bonds2

About pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone

pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 139764799) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID139764799
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namepyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccnc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)9-4-2-6-17-10(9)11(18)8-3-1-5-16-7-8/h1-7H
InChIKeyQIRWKBRHHHOCGI-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone (CID 139764799) is pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1cccnc1)c1ncccc1C(F)(F)F.
What is the InChIKey of pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is QIRWKBRHHHOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)9-4-2-6-17-10(9)11(18)8-3-1-5-16-7-8/h1-7H.
What are the key properties of pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone?
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 252.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 139764799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).