methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate

C8H9BrN2O2 — CID 115268384

IUPACmethyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-5-6(9)3-4-10-7/h3-5H,1-2H3
InChIKeyKJDBUNRQALJFNW-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.05
Rot. Bonds1

About methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate

methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate (PubChem CID 115268384) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
PubChem CID115268384
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-5-6(9)3-4-10-7/h3-5H,1-2H3
InChIKeyKJDBUNRQALJFNW-UHFFFAOYSA-N
XLogP2.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
CID 175528618
N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide
CID 115274344
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 115274358
N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 115274377
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
CID 156580264
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 99857782
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate (CID 115268384) is methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate is COC(=O)N(C)c1cc(Br)ccn1.
What is the InChIKey of methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate?
The InChIKey is KJDBUNRQALJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-5-6(9)3-4-10-7/h3-5H,1-2H3.
What are the key properties of methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate?
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate has a molecular weight of 245.08 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 115268384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).