methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate

C8H9ClN2O2 — CID 177139769

IUPACmethyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(C)c(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-5-3-7(10-4-6(5)9)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12)
InChIKeyCZTGPUQZVTYPCW-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.22
Rot. Bonds1

About methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate

methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate (PubChem CID 177139769) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
PubChem CID177139769
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(C)c(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-5-3-7(10-4-6(5)9)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12)
InChIKeyCZTGPUQZVTYPCW-UHFFFAOYSA-N
XLogP2.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate (CID 177139769) is methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate is COC(=O)Nc1cc(C)c(Cl)cn1.
What is the InChIKey of methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate?
The InChIKey is CZTGPUQZVTYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-3-7(10-4-6(5)9)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate?
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate has a molecular weight of 200.62 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 177139769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).