3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile

C16H10F3N3O — CID 4298743

IUPAC3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
SMILESN#CC1=C2C=CC=CN2C(c2ccccc2)(C(F)(F)F)NC1=O
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)21-14(23)12(10-20)13-8-4-5-9-22(13)15/h1-9H,(H,21,23)
InChIKeyUDEOBUIROCZPPP-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.69
Rot. Bonds1

About 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile

3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile (PubChem CID 4298743) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
PubChem CID4298743
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
SMILESN#CC1=C2C=CC=CN2C(c2ccccc2)(C(F)(F)F)NC1=O
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)21-14(23)12(10-20)13-8-4-5-9-22(13)15/h1-9H,(H,21,23)
InChIKeyUDEOBUIROCZPPP-UHFFFAOYSA-N
XLogP2.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The IUPAC name of 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile (CID 4298743) is 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile.
What is the SMILES notation for 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The canonical SMILES for 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile is N#CC1=C2C=CC=CN2C(c2ccccc2)(C(F)(F)F)NC1=O.
What is the InChIKey of 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
The InChIKey is UDEOBUIROCZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)15(11-6-2-1-3-7-11)21-14(23)12(10-20)13-8-4-5-9-22(13)15/h1-9H,(H,21,23).
What are the key properties of 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile?
3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile has a molecular weight of 317.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile is sourced from PubChem (CID 4298743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).