6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid

C12H7ClN4O2 — CID 71282842

IUPAC6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c3nccn3c2)ncn1
InChIInChI=1S/C12H7ClN4O2/c13-8-3-7(5-17-2-1-14-11(8)17)9-4-10(12(18)19)16-6-15-9/h1-6H,(H,18,19)
InChIKeyFNHKPPQGEUDHRF-UHFFFAOYSA-N
MW274.67 g/mol
LogP2.14
Rot. Bonds2

About 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid

6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid (PubChem CID 71282842) has the molecular formula C12H7ClN4O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid
PubChem CID71282842
Molecular FormulaC12H7ClN4O2
Molecular Weight274.67 g/mol
Exact Mass274.03
IUPAC Name6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c3nccn3c2)ncn1
InChIInChI=1S/C12H7ClN4O2/c13-8-3-7(5-17-2-1-14-11(8)17)9-4-10(12(18)19)16-6-15-9/h1-6H,(H,18,19)
InChIKeyFNHKPPQGEUDHRF-UHFFFAOYSA-N
XLogP2.14
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-chloro-4-(hydroxymethyl)phenyl]pyrimidine-4-carboxylic acid
CID 162772506
1-(8-chloroimidazo[1,2-a]pyridin-6-yl)ethanone
CID 154727087
6-(7-chloro-3H-benzimidazol-5-yl)pyrimidine-4-carboxylic acid
CID 71285522
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(3,5-difluorophenyl)pyrimidine-4-carboxylic acid
CID 117000642
6-[3-chloro-4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxylic acid
CID 71282739
6-(7-chloro-2-cyclopropyl-1,3-dihydroisoindol-5-yl)pyrimidine-4-carboxylic acid
CID 71285254
6-(3-chloro-4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid;pyrimidine-4-carboxylic acid;hydrochloride
CID 159383069
[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123984314
pyrimidine-4,6-dicarboxylic acid;dihydrate
CID 139151595
6-[3-chloro-4-(oxetan-3-yloxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282615
6-[4-chloro-3-(2-methylpropoxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282758

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid (CID 71282842) is 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)c3nccn3c2)ncn1.
What is the InChIKey of 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid?
The InChIKey is FNHKPPQGEUDHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O2/c13-8-3-7(5-17-2-1-14-11(8)17)9-4-10(12(18)19)16-6-15-9/h1-6H,(H,18,19).
What are the key properties of 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid?
6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid has a molecular weight of 274.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 71282842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).