2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine

C12H14ClN3 — CID 79293421

IUPAC2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC1CC1
InChIInChI=1S/C12H14ClN3/c1-8-4-5-14-12-11(8)15-10(6-13)16(12)7-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyDKNQEPPQTDTFOA-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.89
Rot. Bonds3

About 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293421) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293421
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC1CC1
InChIInChI=1S/C12H14ClN3/c1-8-4-5-14-12-11(8)15-10(6-13)16(12)7-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyDKNQEPPQTDTFOA-UHFFFAOYSA-N
XLogP2.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 113475694
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276099
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 114111868
2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101235

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine (CID 79293421) is 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2CC1CC1.
What is the InChIKey of 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is DKNQEPPQTDTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-4-5-14-12-11(8)15-10(6-13)16(12)7-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).