6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid

C12H14ClN3O3 — CID 68738502

IUPAC6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(C(=O)O)c21
InChIInChI=1S/C12H14ClN3O3/c1-2-3-4-5-16-9-8(11(17)18)7(13)6-14-10(9)15-12(16)19/h6H,2-5H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyNMQGJIQNTKQTAP-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.27
Rot. Bonds5

About 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid

6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 68738502) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID68738502
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(C(=O)O)c21
InChIInChI=1S/C12H14ClN3O3/c1-2-3-4-5-16-9-8(11(17)18)7(13)6-14-10(9)15-12(16)19/h6H,2-5H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyNMQGJIQNTKQTAP-UHFFFAOYSA-N
XLogP2.27
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 68738502) is 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid is CCCCCn1c(=O)[nH]c2ncc(Cl)c(C(=O)O)c21.
What is the InChIKey of 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NMQGJIQNTKQTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-2-3-4-5-16-9-8(11(17)18)7(13)6-14-10(9)15-12(16)19/h6H,2-5H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid?
6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 68738502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).