6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid

C7H4ClN3O2 — CID 51072304

IUPAC6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C7H4ClN3O2/c8-4-1-9-7-10-5(6(12)13)3-11(7)2-4/h1-3H,(H,12,13)
InChIKeyITGJWSSYZSIQQZ-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.08
Rot. Bonds1

About 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid

6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 51072304) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID51072304
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C7H4ClN3O2/c8-4-1-9-7-10-5(6(12)13)3-11(7)2-4/h1-3H,(H,12,13)
InChIKeyITGJWSSYZSIQQZ-UHFFFAOYSA-N
XLogP1.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 51072304) is 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2cc(Cl)cnc2n1.
What is the InChIKey of 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is ITGJWSSYZSIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-4-1-9-7-10-5(6(12)13)3-11(7)2-4/h1-3H,(H,12,13).
What are the key properties of 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 51072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).