2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid

C12H14N2O4 — CID 82055660

IUPAC2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cccc(OCCCO)c2n1
InChIInChI=1S/C12H14N2O4/c15-5-2-6-18-10-3-1-4-14-8-9(7-11(16)17)13-12(10)14/h1,3-4,8,15H,2,5-7H2,(H,16,17)
InChIKeyXURSSCIHZHYNTN-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.72
Rot. Bonds6

About 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82055660) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82055660
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cccc(OCCCO)c2n1
InChIInChI=1S/C12H14N2O4/c15-5-2-6-18-10-3-1-4-14-8-9(7-11(16)17)13-12(10)14/h1,3-4,8,15H,2,5-7H2,(H,16,17)
InChIKeyXURSSCIHZHYNTN-UHFFFAOYSA-N
XLogP0.72
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648
2-[8-[(3-fluorophenyl)methoxy]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055665
[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
CID 82055913
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
3-[2-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N,N-dimethylpropan-1-amine
CID 82055923
8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055693
(8-phenylmethoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82055890
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
[8-[(4-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-2-yl]methanol
CID 70511743
2-(10-methylimidazo[2,1-a]isoquinolin-2-yl)acetic acid
CID 115043562
8-(2-oxo-2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055667

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82055660) is 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid is O=C(O)Cc1cn2cccc(OCCCO)c2n1.
What is the InChIKey of 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is XURSSCIHZHYNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-5-2-6-18-10-3-1-4-14-8-9(7-11(16)17)13-12(10)14/h1,3-4,8,15H,2,5-7H2,(H,16,17).
What are the key properties of 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82055660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).