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

C9H15Cl2N3O2 — CID 90409102

IUPACethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7;;/h5,8,10H,2-4H2,1H3,(H,11,12);2*1H
InChIKeyBBAPKAZZZPYBAR-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.00
Rot. Bonds2

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

ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride (PubChem CID 90409102) has the molecular formula C9H15Cl2N3O2 and a molecular weight of 268.14 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
PubChem CID90409102
Molecular FormulaC9H15Cl2N3O2
Molecular Weight268.14 g/mol
Exact Mass267.05
IUPAC Nameethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7;;/h5,8,10H,2-4H2,1H3,(H,11,12);2*1H
InChIKeyBBAPKAZZZPYBAR-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride (CID 90409102) is ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride is CCOC(=O)C1NCCc2[nH]cnc21.Cl.Cl.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
The InChIKey is BBAPKAZZZPYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7;;/h5,8,10H,2-4H2,1H3,(H,11,12);2*1H.
What are the key properties of ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride?
ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride has a molecular weight of 268.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 90409102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).