4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine

C7H8ClN3 — CID 159692170

IUPAC4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
SMILESCN1C=NC2C(Cl)=NC=CC21
InChIInChI=1S/C7H8ClN3/c1-11-4-10-6-5(11)2-3-9-7(6)8/h2-6H,1H3
InChIKeyMWOBJNYWFODSLT-UHFFFAOYSA-N
MW169.61 g/mol
LogP0.86
Rot. Bonds

About 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine

4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine (PubChem CID 159692170) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
PubChem CID159692170
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC Name4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
SMILESCN1C=NC2C(Cl)=NC=CC21
InChIInChI=1S/C7H8ClN3/c1-11-4-10-6-5(11)2-3-9-7(6)8/h2-6H,1H3
InChIKeyMWOBJNYWFODSLT-UHFFFAOYSA-N
XLogP0.86
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine (CID 159692170) is 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine is CN1C=NC2C(Cl)=NC=CC21.
What is the InChIKey of 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The InChIKey is MWOBJNYWFODSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-11-4-10-6-5(11)2-3-9-7(6)8/h2-6H,1H3.
What are the key properties of 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine has a molecular weight of 169.61 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 159692170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).