methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate

C8H9ClN2O2 — CID 174621984

IUPACmethyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)cnc1C
InChIInChI=1S/C8H9ClN2O2/c1-5-7(11-8(12)13-2)3-6(9)4-10-5/h3-4H,1-2H3,(H,11,12)
InChIKeyAXAXILJUKOQHEB-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.22
Rot. Bonds1

About methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate

methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate (PubChem CID 174621984) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
PubChem CID174621984
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)cnc1C
InChIInChI=1S/C8H9ClN2O2/c1-5-7(11-8(12)13-2)3-6(9)4-10-5/h3-4H,1-2H3,(H,11,12)
InChIKeyAXAXILJUKOQHEB-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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Related Compounds

N-(5-chloro-2-methyl-3-pyridinyl)acetamide;ethane
CID 142359065
methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
CID 160632278
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
methyl N-(2-chloro-5-fluoro-3-pyridinyl)carbamate
CID 86694123
N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204528
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate (CID 174621984) is methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate is COC(=O)Nc1cc(Cl)cnc1C.
What is the InChIKey of methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate?
The InChIKey is AXAXILJUKOQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-7(11-8(12)13-2)3-6(9)4-10-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate?
methyl N-(5-chloro-2-methyl-3-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-2-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 174621984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).