2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride

C9H10Cl2N2O2 — CID 67654872

IUPAC2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cc1cnc2ccccn12
InChIInChI=1S/C9H8N2O2.2ClH/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8;;/h1-4,6H,5H2,(H,12,13);2*1H
InChIKeyNXWMBQFCBZYIQQ-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.80
Rot. Bonds2

About 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride

2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride (PubChem CID 67654872) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
PubChem CID67654872
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cc1cnc2ccccn12
InChIInChI=1S/C9H8N2O2.2ClH/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8;;/h1-4,6H,5H2,(H,12,13);2*1H
InChIKeyNXWMBQFCBZYIQQ-UHFFFAOYSA-N
XLogP1.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
CID 56870795
ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
CID 145017956
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045
2-[(3S,4R)-4-[(2-imidazo[1,2-a]pyridin-3-ylacetyl)amino]oxan-3-yl]oxyacetic acid
CID 91793081
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
CID 84708657

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride (CID 67654872) is 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride is Cl.Cl.O=C(O)Cc1cnc2ccccn12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride?
The InChIKey is NXWMBQFCBZYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.2ClH/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8;;/h1-4,6H,5H2,(H,12,13);2*1H.
What are the key properties of 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride?
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride has a molecular weight of 249.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride is sourced from PubChem (CID 67654872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).