7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C15H12ClFN4O2 — CID 146235467

IUPAC7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1nccc(C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H12ClFN4O2/c1-3-10-11(7(2)4-5-18-10)21-13-8(14(22)20-15(21)23)6-9(17)12(16)19-13/h4-6H,3H2,1-2H3,(H,20,22,23)
InChIKeyZFIUBFGRFJOLEK-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.13
Rot. Bonds2

About 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146235467) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146235467
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1nccc(C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H12ClFN4O2/c1-3-10-11(7(2)4-5-18-10)21-13-8(14(22)20-15(21)23)6-9(17)12(16)19-13/h4-6H,3H2,1-2H3,(H,20,22,23)
InChIKeyZFIUBFGRFJOLEK-UHFFFAOYSA-N
XLogP2.13
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 146235467) is 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is CCc1nccc(C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZFIUBFGRFJOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-3-10-11(7(2)4-5-18-10)21-13-8(14(22)20-15(21)23)6-9(17)12(16)19-13/h4-6H,3H2,1-2H3,(H,20,22,23).
What are the key properties of 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 334.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146235467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).