(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride

C8H12ClN3O2 — CID 162341617

IUPAC(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.Cn1cnc2c1CN[C@@H](C(=O)O)C2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;/h4,6,9H,2-3H2,1H3,(H,12,13);1H/t6-;/m1./s1
InChIKeyDHQQZPSZBJOSAO-FYZOBXCZSA-N
MW217.66 g/mol
LogP-0.06
Rot. Bonds1

About (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride

(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 162341617) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
PubChem CID162341617
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.Cn1cnc2c1CN[C@@H](C(=O)O)C2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;/h4,6,9H,2-3H2,1H3,(H,12,13);1H/t6-;/m1./s1
InChIKeyDHQQZPSZBJOSAO-FYZOBXCZSA-N
XLogP-0.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride (CID 162341617) is (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride is Cl.Cn1cnc2c1CN[C@@H](C(=O)O)C2.
What is the InChIKey of (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is DHQQZPSZBJOSAO-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-11-4-10-5-2-6(8(12)13)9-3-7(5)11;/h4,6,9H,2-3H2,1H3,(H,12,13);1H/t6-;/m1./s1.
What are the key properties of (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride?
(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 162341617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).