(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride

C10H15ClN2O2 — CID 138991251

IUPAC(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCc1cn2c(n1)[C@H](C)C[C@H](C(=O)O)C2.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-6-3-8(10(13)14)5-12-4-7(2)11-9(6)12;/h4,6,8H,3,5H2,1-2H3,(H,13,14);1H/t6-,8+;/m1./s1
InChIKeyBWKHVUOJDJWOFM-HNJRQZNRSA-N
MW230.69 g/mol
LogP1.82
Rot. Bonds1

About (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride

(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 138991251) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
PubChem CID138991251
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCc1cn2c(n1)[C@H](C)C[C@H](C(=O)O)C2.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-6-3-8(10(13)14)5-12-4-7(2)11-9(6)12;/h4,6,8H,3,5H2,1-2H3,(H,13,14);1H/t6-,8+;/m1./s1
InChIKeyBWKHVUOJDJWOFM-HNJRQZNRSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride with MolForge

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Related Compounds

7-(3-aminopropyl)-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
CID 90655309
5H,6H,7H,8H-imidazo(1,2-a)pyridine-8-carboxylic acid
CID 47003545
3-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678830
5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 91663960
1-(6-Methylpyrazin-2-Yl)Piperidine-3-Carboxylic Acid
CID 24229596
5H,6H,7H,8H-imidazo(1,5-a)pyridine-7-carboxylic acid hydrochloride
CID 71756863
3-cyclohexyl-5H,6H,7H,8H-imidazo(1,5-a)pyridine-7-carboxylic acid hydrochloride
CID 75447691
5H,6H,7H,8H-imidazo[1,5-a]pyridine-8-carboxylic acid
CID 82414298
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid hydrochloride
CID 122156770
2-(8-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)acetic acid hydrochloride
CID 132371662
2-ethyl-5H,6H,7H,8H-imidazo(1,2-a)pyridine-7-carboxylic acid hydrochloride
CID 137943618
2-ethyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid hydrochloride
CID 137945232

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride (CID 138991251) is (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride is Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)O)C2.Cl.
What is the InChIKey of (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is BWKHVUOJDJWOFM-HNJRQZNRSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-6-3-8(10(13)14)5-12-4-7(2)11-9(6)12;/h4,6,8H,3,5H2,1-2H3,(H,13,14);1H/t6-,8+;/m1./s1.
What are the key properties of (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
(6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 138991251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).