7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine

C8H6F3N3 — CID 138455227

IUPAC7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc2c(n1)NC=NC2
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-2-1-5-3-12-4-13-7(5)14-6/h1-2,4H,3H2,(H,12,13,14)
InChIKeyLCLCTLJKQSLZEU-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.05
Rot. Bonds

About 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine

7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine (PubChem CID 138455227) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine
PubChem CID138455227
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc2c(n1)NC=NC2
InChIInChI=1S/C8H6F3N3/c9-8(10,11)6-2-1-5-3-12-4-13-7(5)14-6/h1-2,4H,3H2,(H,12,13,14)
InChIKeyLCLCTLJKQSLZEU-UHFFFAOYSA-N
XLogP2.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine (CID 138455227) is 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine is FC(F)(F)c1ccc2c(n1)NC=NC2.
What is the InChIKey of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is LCLCTLJKQSLZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)6-2-1-5-3-12-4-13-7(5)14-6/h1-2,4H,3H2,(H,12,13,14).
What are the key properties of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine?
7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 138455227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).