2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one

C13H5ClF10N2O — CID 10836406

IUPAC2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12
InChIInChI=1S/C13H5ClF10N2O/c14-13(23,24)12(21,22)11(19,20)10(17,18)9(15,16)6-5-8(27)26-4-2-1-3-7(26)25-6/h1-5H
InChIKeyQIMAJEYOYGNHCV-UHFFFAOYSA-N
MW430.63 g/mol
LogP4.52
Rot. Bonds5

About 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one

2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10836406) has the molecular formula C13H5ClF10N2O and a molecular weight of 430.63 g/mol. Its IUPAC name is 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10836406
Molecular FormulaC13H5ClF10N2O
Molecular Weight430.63 g/mol
Exact Mass429.99
IUPAC Name2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12
InChIInChI=1S/C13H5ClF10N2O/c14-13(23,24)12(21,22)11(19,20)10(17,18)9(15,16)6-5-8(27)26-4-2-1-3-7(26)25-6/h1-5H
InChIKeyQIMAJEYOYGNHCV-UHFFFAOYSA-N
XLogP4.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
CID 10592573
2-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
CID 10621694
2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10641215
2-(1,1,2,2,3,3,3-Heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
CID 10710351
2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10837029
4-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-methylpyrido[1,2-a]pyrimidin-2-one
CID 11175362
4-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one
CID 15263163
4-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-2-one
CID 15263165
2-Butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 141214891
7-Bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
CID 10740264
2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 15263168
4-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-6-methylpyrido[1,2-a]pyrimidin-2-one
CID 102068840

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one (CID 10836406) is 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12.
What is the InChIKey of 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QIMAJEYOYGNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF10N2O/c14-13(23,24)12(21,22)11(19,20)10(17,18)9(15,16)6-5-8(27)26-4-2-1-3-7(26)25-6/h1-5H.
What are the key properties of 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 430.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10836406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).