4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine

C11H13ClN4O — CID 83017656

IUPAC4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
SMILESClCc1nc2cnccc2n1N1CCOCC1
InChIInChI=1S/C11H13ClN4O/c12-7-11-14-9-8-13-2-1-10(9)16(11)15-3-5-17-6-4-15/h1-2,8H,3-7H2
InChIKeyALYAEBNWMIHODR-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.14
Rot. Bonds2

About 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine

4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine (PubChem CID 83017656) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
PubChem CID83017656
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
SMILESClCc1nc2cnccc2n1N1CCOCC1
InChIInChI=1S/C11H13ClN4O/c12-7-11-14-9-8-13-2-1-10(9)16(11)15-3-5-17-6-4-15/h1-2,8H,3-7H2
InChIKeyALYAEBNWMIHODR-UHFFFAOYSA-N
XLogP1.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(4-Morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine
CID 122184939
5-(4-Morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 122184940
4-(3-Phenyltriazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 660714
2-[[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
CID 46225373
5-(4-Morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-amine
CID 122184941
5-[7-(Aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 122184945
5-[7-[(Dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 122184950
3H-Imidazo(4,5-b)pyridine-2-propanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076961
3H-Imidazo(4,5-b)pyridine-2-ethanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076962
4-Pyrrolo[2,1-f][1,2,4]triazin-4-ylmorpholine
CID 118711765
4-{6-[3-(4-Chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl}morpholine
CID 90418076
US10851082, Nucc-0176146
CID 129086082

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine?
The IUPAC name of 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine (CID 83017656) is 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine.
What is the SMILES notation for 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine?
The canonical SMILES for 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine is ClCc1nc2cnccc2n1N1CCOCC1.
What is the InChIKey of 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine?
The InChIKey is ALYAEBNWMIHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-7-11-14-9-8-13-2-1-10(9)16(11)15-3-5-17-6-4-15/h1-2,8H,3-7H2.
What are the key properties of 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine?
4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine has a molecular weight of 252.70 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine is sourced from PubChem (CID 83017656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).