propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate

C10H13BrN2O2 — CID 79048971

IUPACpropan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
SMILESCc1nc(NC(=O)OC(C)C)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(2)15-10(14)13-9-5-4-8(11)7(3)12-9/h4-6H,1-3H3,(H,12,13,14)
InChIKeyMKQLJTYMQPWERZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.11
Rot. Bonds2

About propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate

propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate (PubChem CID 79048971) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
PubChem CID79048971
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Namepropan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
SMILESCc1nc(NC(=O)OC(C)C)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(2)15-10(14)13-9-5-4-8(11)7(3)12-9/h4-6H,1-3H3,(H,12,13,14)
InChIKeyMKQLJTYMQPWERZ-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybenzamide
CID 925722
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-bromo-6-methyl-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 925711
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate?
The IUPAC name of propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate (CID 79048971) is propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate?
The canonical SMILES for propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate is Cc1nc(NC(=O)OC(C)C)ccc1Br.
What is the InChIKey of propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate?
The InChIKey is MKQLJTYMQPWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(2)15-10(14)13-9-5-4-8(11)7(3)12-9/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate?
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate has a molecular weight of 273.13 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 79048971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).