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

C10H7ClN2O3 — CID 165478989

IUPAC2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCc1c(Cl)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C10H7ClN2O3/c1-5-8(11)12-7-3-2-6(10(15)16)4-13(7)9(5)14/h2-4H,1H3,(H,15,16)
InChIKeyZGEKCVBJZMJHIQ-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.35
Rot. Bonds1

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

2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 165478989) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID165478989
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCc1c(Cl)nc2ccc(C(=O)O)cn2c1=O
InChIInChI=1S/C10H7ClN2O3/c1-5-8(11)12-7-3-2-6(10(15)16)4-13(7)9(5)14/h2-4H,1H3,(H,15,16)
InChIKeyZGEKCVBJZMJHIQ-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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Related Compounds

2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20555049
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
2-[2-(2,4-dimethylphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56617409
2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 70549091
2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635057
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
3-methyl-4-oxo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531151
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251411
3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 165478989) is 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is Cc1c(Cl)nc2ccc(C(=O)O)cn2c1=O.
What is the InChIKey of 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is ZGEKCVBJZMJHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-5-8(11)12-7-3-2-6(10(15)16)4-13(7)9(5)14/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-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-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 165478989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).