2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C9H9N3O3 — CID 103936814

IUPAC2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESC[C@H](O)c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C9H9N3O3/c1-4(13)7-11-6-5(9(14)15)2-3-10-8(6)12-7/h2-4,13H,1H3,(H,14,15)(H,10,11,12)/t4-/m0/s1
InChIKeyQHXKLPJPWXMXBU-BYPYZUCNSA-N
MW207.19 g/mol
LogP0.71
Rot. Bonds2

About 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 103936814) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID103936814
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESC[C@H](O)c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C9H9N3O3/c1-4(13)7-11-6-5(9(14)15)2-3-10-8(6)12-7/h2-4,13H,1H3,(H,14,15)(H,10,11,12)/t4-/m0/s1
InChIKeyQHXKLPJPWXMXBU-BYPYZUCNSA-N
XLogP0.71
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 103936814) is 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is C[C@H](O)c1nc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is QHXKLPJPWXMXBU-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4(13)7-11-6-5(9(14)15)2-3-10-8(6)12-7/h2-4,13H,1H3,(H,14,15)(H,10,11,12)/t4-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 103936814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).