methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate

C11H12ClN3O2 — CID 79292098

IUPACmethyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
SMILESCOC(=O)CCn1c(CCl)nc2cnccc21
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)3-5-15-9-2-4-13-7-8(9)14-10(15)6-12/h2,4,7H,3,5-6H2,1H3
InChIKeyUORKPPCEYZFXOD-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.73
Rot. Bonds4

About methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate

methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate (PubChem CID 79292098) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
PubChem CID79292098
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Namemethyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
SMILESCOC(=O)CCn1c(CCl)nc2cnccc21
InChIInChI=1S/C11H12ClN3O2/c1-17-11(16)3-5-15-9-2-4-13-7-8(9)14-10(15)6-12/h2,4,7H,3,5-6H2,1H3
InChIKeyUORKPPCEYZFXOD-UHFFFAOYSA-N
XLogP1.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.73
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

methyl 3-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]propanoate
CID 61295205
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 113405656
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
methyl 3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 55086421
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 79292582
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-ethyl-3-(3-methoxy-3-oxopropyl)benzimidazole-5-carboxylic acid
CID 82790769
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
CID 83018792

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate?
The IUPAC name of methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate (CID 79292098) is methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate is COC(=O)CCn1c(CCl)nc2cnccc21.
What is the InChIKey of methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate?
The InChIKey is UORKPPCEYZFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-17-11(16)3-5-15-9-2-4-13-7-8(9)14-10(15)6-12/h2,4,7H,3,5-6H2,1H3.
What are the key properties of methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate?
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate has a molecular weight of 253.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate is sourced from PubChem (CID 79292098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).