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

C8H9BrN2O2 — CID 160632278

IUPACmethyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(Br)cnc1C
InChIInChI=1S/C8H9BrN2O2/c1-5-7(11-8(12)13-2)3-6(9)4-10-5/h3-4H,1-2H3,(H,11,12)
InChIKeyNSQKAQCLOUPRGA-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.33
Rot. Bonds1

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

methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate (PubChem CID 160632278) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
PubChem CID160632278
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(Br)cnc1C
InChIInChI=1S/C8H9BrN2O2/c1-5-7(11-8(12)13-2)3-6(9)4-10-5/h3-4H,1-2H3,(H,11,12)
InChIKeyNSQKAQCLOUPRGA-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
CID 174621984
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431
methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea
CID 164631272
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
methyl N-[3,5-bis(methoxycarbonylamino)-2-methylphenyl]carbamate
CID 149435265
5-bromo-2-methylpyridine-3-carbohydrazide
CID 133061370
5-bromo-2,3-dimethylpyridine;methyl formate
CID 177034654
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
methyl N-(2-chloro-5-fluoro-3-pyridinyl)carbamate
CID 86694123

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate (CID 160632278) is methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate is COC(=O)Nc1cc(Br)cnc1C.
What is the InChIKey of methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate?
The InChIKey is NSQKAQCLOUPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/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-bromo-2-methyl-3-pyridinyl)carbamate?
methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate has a molecular weight of 245.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 160632278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).