4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C13H10ClF3N4 — CID 59021480

IUPAC4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCc3c(Cl)ncnc3C2)nc1
InChIInChI=1S/C13H10ClF3N4/c14-12-9-3-4-21(6-10(9)19-7-20-12)11-2-1-8(5-18-11)13(15,16)17/h1-2,5,7H,3-4,6H2
InChIKeyVIEPJLYVLCLYOD-UHFFFAOYSA-N
MW314.70 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 59021480) has the molecular formula C13H10ClF3N4 and a molecular weight of 314.70 g/mol. Its IUPAC name is 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID59021480
Molecular FormulaC13H10ClF3N4
Molecular Weight314.70 g/mol
Exact Mass314.05
IUPAC Name4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCc3c(Cl)ncnc3C2)nc1
InChIInChI=1S/C13H10ClF3N4/c14-12-9-3-4-21(6-10(9)19-7-20-12)11-2-1-8(5-18-11)13(15,16)17/h1-2,5,7H,3-4,6H2
InChIKeyVIEPJLYVLCLYOD-UHFFFAOYSA-N
XLogP3.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 59021480) is 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC(F)(F)c1ccc(N2CCc3c(Cl)ncnc3C2)nc1.
What is the InChIKey of 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is VIEPJLYVLCLYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4/c14-12-9-3-4-21(6-10(9)19-7-20-12)11-2-1-8(5-18-11)13(15,16)17/h1-2,5,7H,3-4,6H2.
What are the key properties of 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 314.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[5-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 59021480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).