methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride

C8H13Cl2N3O2 — CID 67946063

IUPACmethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C8H11N3O2.2ClH/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H
InChIKeyOYBXVUQCSCEIFA-UHFFFAOYSA-N
MW254.12 g/mol
LogP0.61
Rot. Bonds1

About methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride

methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride (PubChem CID 67946063) has the molecular formula C8H13Cl2N3O2 and a molecular weight of 254.12 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
PubChem CID67946063
Molecular FormulaC8H13Cl2N3O2
Molecular Weight254.12 g/mol
Exact Mass253.04
IUPAC Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C8H11N3O2.2ClH/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H
InChIKeyOYBXVUQCSCEIFA-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride (CID 67946063) is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The canonical SMILES for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride is COC(=O)C1NCCc2[nH]cnc21.Cl.Cl.
What is the InChIKey of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The InChIKey is OYBXVUQCSCEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.2ClH/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H.
What are the key properties of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride has a molecular weight of 254.12 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 67946063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).