5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid

C8H6ClN2O5P — CID 19701293

IUPAC5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(P(=O)(O)O)cn2c1Cl
InChIInChI=1S/C8H6ClN2O5P/c9-7-4(8(12)13)1-2-5-10-6(3-11(5)7)17(14,15)16/h1-3H,(H,12,13)(H2,14,15,16)
InChIKeySYLSFJCXYIQNQW-UHFFFAOYSA-N
MW276.57 g/mol
LogP0.49
Rot. Bonds2

About 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid

5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 19701293) has the molecular formula C8H6ClN2O5P and a molecular weight of 276.57 g/mol. Its IUPAC name is 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID19701293
Molecular FormulaC8H6ClN2O5P
Molecular Weight276.57 g/mol
Exact Mass275.97
IUPAC Name5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(P(=O)(O)O)cn2c1Cl
InChIInChI=1S/C8H6ClN2O5P/c9-7-4(8(12)13)1-2-5-10-6(3-11(5)7)17(14,15)16/h1-3H,(H,12,13)(H2,14,15,16)
InChIKeySYLSFJCXYIQNQW-UHFFFAOYSA-N
XLogP0.49
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.57
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
2-Phenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 352571
Methyl imidazo(1,2-a)pyridine-6-carboxylate
CID 2764326
6-(1H-imidazol-1-yl)pyridine-3-carboxylic acid
CID 4602592
Imidazo(1,2-a)pyridine-6-carboxylic acid
CID 7075376
Imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 11715356
Methyl imidazo[1,2-a]pyridine-8-carboxylate
CID 15098894
2-(1H-imidazol-1-yl)pyridine-3-carboxylic acid
CID 16793847
6-Bromoimidazo(1,2-a)pyridine-8-carboxylic acid
CID 17750393
2-Methylimidazo(1,2-a)pyridine-6-carboxylic acid
CID 20072829
2-(Trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 56763812
3-Bromoimidazo(1,2-a)pyridine-8-carboxylic acid
CID 57415878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid (CID 19701293) is 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(P(=O)(O)O)cn2c1Cl.
What is the InChIKey of 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is SYLSFJCXYIQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN2O5P/c9-7-4(8(12)13)1-2-5-10-6(3-11(5)7)17(14,15)16/h1-3H,(H,12,13)(H2,14,15,16).
What are the key properties of 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 276.57 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 19701293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).