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

C11H13ClN4O2 — CID 83205092

IUPAC2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
SMILESCc1cnc2c(c1)nc(CCl)n2CCOC(N)=O
InChIInChI=1S/C11H13ClN4O2/c1-7-4-8-10(14-6-7)16(9(5-12)15-8)2-3-18-11(13)17/h4,6H,2-3,5H2,1H3,(H2,13,17)
InChIKeyMSCLKAWRMKOGEM-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.57
Rot. Bonds4

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

2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate (PubChem CID 83205092) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
PubChem CID83205092
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
SMILESCc1cnc2c(c1)nc(CCl)n2CCOC(N)=O
InChIInChI=1S/C11H13ClN4O2/c1-7-4-8-10(14-6-7)16(9(5-12)15-8)2-3-18-11(13)17/h4,6H,2-3,5H2,1H3,(H2,13,17)
InChIKeyMSCLKAWRMKOGEM-UHFFFAOYSA-N
XLogP1.57
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate?
The IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate (CID 83205092) is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate.
What is the SMILES notation for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate?
The canonical SMILES for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate is Cc1cnc2c(c1)nc(CCl)n2CCOC(N)=O.
What is the InChIKey of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate?
The InChIKey is MSCLKAWRMKOGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-7-4-8-10(14-6-7)16(9(5-12)15-8)2-3-18-11(13)17/h4,6H,2-3,5H2,1H3,(H2,13,17).
What are the key properties of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate?
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate has a molecular weight of 268.70 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate is sourced from PubChem (CID 83205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).