ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate

C9H9ClN4O2 — CID 4517440

IUPACethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H9ClN4O2/c1-2-16-9(15)14-6-3-5(10)7-8(13-6)12-4-11-7/h3-4H,2H2,1H3,(H2,11,12,13,14,15)
InChIKeyFUGKOFWRHJVAAI-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.18
Rot. Bonds2

About ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate

ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate (PubChem CID 4517440) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
PubChem CID4517440
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Nameethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H9ClN4O2/c1-2-16-9(15)14-6-3-5(10)7-8(13-6)12-4-11-7/h3-4H,2H2,1H3,(H2,11,12,13,14,15)
InChIKeyFUGKOFWRHJVAAI-UHFFFAOYSA-N
XLogP2.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate?
The IUPAC name of ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate (CID 4517440) is ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate.
What is the SMILES notation for ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate?
The canonical SMILES for ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate is CCOC(=O)Nc1cc(Cl)c2[nH]cnc2n1.
What is the InChIKey of ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate?
The InChIKey is FUGKOFWRHJVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-2-16-9(15)14-6-3-5(10)7-8(13-6)12-4-11-7/h3-4H,2H2,1H3,(H2,11,12,13,14,15).
What are the key properties of ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate?
ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate has a molecular weight of 240.65 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate is sourced from PubChem (CID 4517440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).