2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine

C14H11ClF2N4O — CID 159315914

IUPAC2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine
SMILESNc1ccc(F)cn1.O=c1cc(CCl)nc2ccc(F)cn12
InChIInChI=1S/C9H6ClFN2O.C5H5FN2/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7;6-4-1-2-5(7)8-3-4/h1-3,5H,4H2;1-3H,(H2,7,8)
InChIKeyLDDAEFWUSSQUOD-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.38
Rot. Bonds1

About 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine

2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine (PubChem CID 159315914) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine.

Molecular Properties

Compound Name2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine
PubChem CID159315914
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine
SMILESNc1ccc(F)cn1.O=c1cc(CCl)nc2ccc(F)cn12
InChIInChI=1S/C9H6ClFN2O.C5H5FN2/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7;6-4-1-2-5(7)8-3-4/h1-3,5H,4H2;1-3H,(H2,7,8)
InChIKeyLDDAEFWUSSQUOD-UHFFFAOYSA-N
XLogP2.38
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115015290
2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 130209616
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
3-bromo-2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 66831405
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-fluorobenzoate
CID 18199866
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,4-difluorobenzoate
CID 7542386
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;7-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 158210915
8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 146050186
6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 67002292

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine?
The IUPAC name of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine (CID 159315914) is 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine.
What is the SMILES notation for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine?
The canonical SMILES for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine is Nc1ccc(F)cn1.O=c1cc(CCl)nc2ccc(F)cn12.
What is the InChIKey of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine?
The InChIKey is LDDAEFWUSSQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O.C5H5FN2/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7;6-4-1-2-5(7)8-3-4/h1-3,5H,4H2;1-3H,(H2,7,8).
What are the key properties of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine?
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine has a molecular weight of 324.72 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine is sourced from PubChem (CID 159315914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).