2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride

C9H13ClN2O2 — CID 126796985

IUPAC2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCc1cn2c(n1)CC(C(=O)O)CC2.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-5-11-3-2-7(9(12)13)4-8(11)10-6;/h5,7H,2-4H2,1H3,(H,12,13);1H
InChIKeyPUASYGPPTBDKOQ-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.26
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride

2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 126796985) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
PubChem CID126796985
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCc1cn2c(n1)CC(C(=O)O)CC2.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-5-11-3-2-7(9(12)13)4-8(11)10-6;/h5,7H,2-4H2,1H3,(H,12,13);1H
InChIKeyPUASYGPPTBDKOQ-UHFFFAOYSA-N
XLogP1.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 83966379
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155945
2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966376
2-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966369
2-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 155701352
2-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155961
2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 154784069
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanamine
CID 83865650
5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 166246760
3-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride (CID 126796985) is 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride is Cc1cn2c(n1)CC(C(=O)O)CC2.Cl.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is PUASYGPPTBDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-6-5-11-3-2-7(9(12)13)4-8(11)10-6;/h5,7H,2-4H2,1H3,(H,12,13);1H.
What are the key properties of 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 126796985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).