7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine

C12H13Cl2N3O — CID 114286250

IUPAC7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine
SMILESCC1(n2c(CCl)nc3cncc(Cl)c32)CCOC1
InChIInChI=1S/C12H13Cl2N3O/c1-12(2-3-18-7-12)17-10(4-13)16-9-6-15-5-8(14)11(9)17/h5-6H,2-4,7H2,1H3
InChIKeySDWXJNHJFAUBDD-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.96
Rot. Bonds2

About 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine

7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine (PubChem CID 114286250) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine
PubChem CID114286250
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine
SMILESCC1(n2c(CCl)nc3cncc(Cl)c32)CCOC1
InChIInChI=1S/C12H13Cl2N3O/c1-12(2-3-18-7-12)17-10(4-13)16-9-6-15-5-8(14)11(9)17/h5-6H,2-4,7H2,1H3
InChIKeySDWXJNHJFAUBDD-UHFFFAOYSA-N
XLogP2.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine
CID 113482212
2-(chloromethyl)-6-fluoro-1-(4-methyloxan-4-yl)benzimidazole
CID 113491217
7-chloro-2-(chloromethyl)-1-(1-cyclobutylethyl)imidazo[4,5-c]pyridine
CID 114286257
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
CID 114286247
2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
CID 113482198
6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
CID 65346626
2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79295049
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(3-methyloxolan-3-yl)benzimidazole
CID 116739367
2-(chloromethyl)-5-fluoro-6-methyl-1-(1-methylcyclopentyl)benzimidazole
CID 103593802
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
CID 83029337
4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
CID 83017656

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine (CID 114286250) is 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine is CC1(n2c(CCl)nc3cncc(Cl)c32)CCOC1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is SDWXJNHJFAUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-12(2-3-18-7-12)17-10(4-13)16-9-6-15-5-8(14)11(9)17/h5-6H,2-4,7H2,1H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine?
7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 286.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 114286250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).