4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine

C8H5ClF3N3 — CID 141291417

IUPAC4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
SMILESFC(F)(F)C1CC=Nc2ncnc(Cl)c21
InChIInChI=1S/C8H5ClF3N3/c9-6-5-4(8(10,11)12)1-2-13-7(5)15-3-14-6/h2-4H,1H2
InChIKeyBMXMSXDTAGVHLZ-UHFFFAOYSA-N
MW235.60 g/mol
LogP2.88
Rot. Bonds

About 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine

4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine (PubChem CID 141291417) has the molecular formula C8H5ClF3N3 and a molecular weight of 235.60 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
PubChem CID141291417
Molecular FormulaC8H5ClF3N3
Molecular Weight235.60 g/mol
Exact Mass235.01
IUPAC Name4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
SMILESFC(F)(F)C1CC=Nc2ncnc(Cl)c21
InChIInChI=1S/C8H5ClF3N3/c9-6-5-4(8(10,11)12)1-2-13-7(5)15-3-14-6/h2-4H,1H2
InChIKeyBMXMSXDTAGVHLZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine (CID 141291417) is 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine is FC(F)(F)C1CC=Nc2ncnc(Cl)c21.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is BMXMSXDTAGVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3/c9-6-5-4(8(10,11)12)1-2-13-7(5)15-3-14-6/h2-4H,1H2.
What are the key properties of 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine?
4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 235.60 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141291417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).