methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate

C12H14ClN3O2 — CID 79301226

IUPACmethyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
SMILESCOC(=O)C(C)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C12H14ClN3O2/c1-7-4-9-11(14-6-7)16(10(5-13)15-9)8(2)12(17)18-3/h4,6,8H,5H2,1-3H3
InChIKeyADMVOWABLGNRAF-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate

methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate (PubChem CID 79301226) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
PubChem CID79301226
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Namemethyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
SMILESCOC(=O)C(C)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C12H14ClN3O2/c1-7-4-9-11(14-6-7)16(10(5-13)15-9)8(2)12(17)18-3/h4,6,8H,5H2,1-3H3
InChIKeyADMVOWABLGNRAF-UHFFFAOYSA-N
XLogP2.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.21
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

(2-Pyridin-2-yl-benzoimidazol-1-yl)-acetic acid ethyl ester
CID 869802
ethyl 2-[2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazol-1-yl]acetate
CID 1474290
ethyl 2-[2-(6-chloro-3-pyridinyl)-1H-1,3-benzimidazol-1-yl]acetate
CID 1488402
methyl 2-(2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)acetate
CID 44024153
1-methyl-1H-imidazo(4,5-b)pyridine-2-carboxylic acid
CID 10631135
Methyl 2-[2-(5-ethyl-2-pyridinyl)benzimidazol-1-yl]acetate
CID 44376951
methyl N-(2-phenylimidazo[1,2-a]pyridin-3-yl)glycinate
CID 6625231
Methyl 8-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 16413637
Ethyl 4-chloro-5-methyl-pyrrolo[3,2-d]pyrimidine-2-carboxylate
CID 73977832
tert-butyl 2-{2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}acetate
CID 165950130
Ethyl 8-chloroimidazo(1,5-a)pyridine-3-carboxylate
CID 168487676
Ethyl 2-(2-(3-pyridyl)benzimidazolyl)acetate
CID 16644397

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate?
The IUPAC name of methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate (CID 79301226) is methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate.
What is the SMILES notation for methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate?
The canonical SMILES for methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate is COC(=O)C(C)n1c(CCl)nc2cc(C)cnc21.
What is the InChIKey of methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate?
The InChIKey is ADMVOWABLGNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7-4-9-11(14-6-7)16(10(5-13)15-9)8(2)12(17)18-3/h4,6,8H,5H2,1-3H3.
What are the key properties of methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate?
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate has a molecular weight of 267.72 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate is sourced from PubChem (CID 79301226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).