2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine

C8H2Cl2F3N3 — CID 58398905

IUPAC2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc2c(Cl)nc(Cl)nc2n1
InChIInChI=1S/C8H2Cl2F3N3/c9-5-3-1-2-4(8(11,12)13)14-6(3)16-7(10)15-5/h1-2H
InChIKeyYJODODLCIOQKQS-UHFFFAOYSA-N
MW268.03 g/mol
LogP3.35
Rot. Bonds

About 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine

2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine (PubChem CID 58398905) has the molecular formula C8H2Cl2F3N3 and a molecular weight of 268.03 g/mol. Its IUPAC name is 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine
PubChem CID58398905
Molecular FormulaC8H2Cl2F3N3
Molecular Weight268.03 g/mol
Exact Mass266.96
IUPAC Name2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc2c(Cl)nc(Cl)nc2n1
InChIInChI=1S/C8H2Cl2F3N3/c9-5-3-1-2-4(8(11,12)13)14-6(3)16-7(10)15-5/h1-2H
InChIKeyYJODODLCIOQKQS-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine (CID 58398905) is 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine is FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2n1.
What is the InChIKey of 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine?
The InChIKey is YJODODLCIOQKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3N3/c9-5-3-1-2-4(8(11,12)13)14-6(3)16-7(10)15-5/h1-2H.
What are the key properties of 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine?
2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine has a molecular weight of 268.03 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 58398905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).