2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C10H7ClN2O3 — CID 58357524

IUPAC2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc2nc(Cl)c(C(=O)O)c(=O)n2c1
InChIInChI=1S/C10H7ClN2O3/c1-5-2-3-6-12-8(11)7(10(15)16)9(14)13(6)4-5/h2-4H,1H3,(H,15,16)
InChIKeyFWPDQWNKFOUOLK-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.35
Rot. Bonds1

About 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 58357524) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID58357524
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccc2nc(Cl)c(C(=O)O)c(=O)n2c1
InChIInChI=1S/C10H7ClN2O3/c1-5-2-3-6-12-8(11)7(10(15)16)9(14)13(6)4-5/h2-4H,1H3,(H,15,16)
InChIKeyFWPDQWNKFOUOLK-UHFFFAOYSA-N
XLogP1.35
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 58357524) is 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1ccc2nc(Cl)c(C(=O)O)c(=O)n2c1.
What is the InChIKey of 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is FWPDQWNKFOUOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-5-2-3-6-12-8(11)7(10(15)16)9(14)13(6)4-5/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 58357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).