(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate

C15H9ClN2O3 — CID 10804213

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H9ClN2O3/c16-11-6-2-1-5-10(11)15(20)21-13-9-14(19)18-8-4-3-7-12(18)17-13/h1-9H
InChIKeyPRMMWOUFABIVNW-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.57
Rot. Bonds2

About (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate

(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate (PubChem CID 10804213) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
PubChem CID10804213
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H9ClN2O3/c16-11-6-2-1-5-10(11)15(20)21-13-9-14(19)18-8-4-3-7-12(18)17-13/h1-9H
InChIKeyPRMMWOUFABIVNW-UHFFFAOYSA-N
XLogP2.57
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
CID 10564684
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 134105909
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-methylbenzoate
CID 824944
(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
CID 10540095
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
CID 134087021
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
CID 17424407
1-(2-chlorophenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355871
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one
CID 126954535
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-phenylethyl)benzoate
CID 18203378
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032

Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate (CID 10804213) is (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate is O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
The InChIKey is PRMMWOUFABIVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-11-6-2-1-5-10(11)15(20)21-13-9-14(19)18-8-4-3-7-12(18)17-13/h1-9H.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate has a molecular weight of 300.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate is sourced from PubChem (CID 10804213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).