6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

C9H5F3N2O — CID 175786871

IUPAC6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESO=c1cc2cc(C(F)(F)F)ccn2cn1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-1-2-14-5-13-8(15)4-7(14)3-6/h1-5H
InChIKeyKXFWDPLESYLQAH-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.71
Rot. Bonds

About 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (PubChem CID 175786871) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
PubChem CID175786871
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESO=c1cc2cc(C(F)(F)F)ccn2cn1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)6-1-2-14-5-13-8(15)4-7(14)3-6/h1-5H
InChIKeyKXFWDPLESYLQAH-UHFFFAOYSA-N
XLogP1.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (CID 175786871) is 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is O=c1cc2cc(C(F)(F)F)ccn2cn1.
What is the InChIKey of 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The InChIKey is KXFWDPLESYLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-2-14-5-13-8(15)4-7(14)3-6/h1-5H.
What are the key properties of 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one has a molecular weight of 214.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 175786871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).