ethyl N-(5-chloro-2-pyridinyl)carbamate

C8H9ClN2O2 — CID 802024

IUPACethyl N-(5-chloro-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyLCOSJBMCUBGWDL-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.30
Rot. Bonds2

About ethyl N-(5-chloro-2-pyridinyl)carbamate

ethyl N-(5-chloro-2-pyridinyl)carbamate (PubChem CID 802024) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is ethyl N-(5-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloro-2-pyridinyl)carbamate
PubChem CID802024
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Nameethyl N-(5-chloro-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyLCOSJBMCUBGWDL-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloro-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(5-chloro-2-pyridinyl)carbamate (CID 802024) is ethyl N-(5-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(5-chloro-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(5-chloro-2-pyridinyl)carbamate is CCOC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of ethyl N-(5-chloro-2-pyridinyl)carbamate?
The InChIKey is LCOSJBMCUBGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-13-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of ethyl N-(5-chloro-2-pyridinyl)carbamate?
ethyl N-(5-chloro-2-pyridinyl)carbamate has a molecular weight of 200.63 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 802024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).