tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate

C16H17BrN2O2 — CID 173234410

IUPACtert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C16H17BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(8-9-18-14)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyKXZIJXQGPIRKCB-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate

tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate (PubChem CID 173234410) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
PubChem CID173234410
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Nametert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C16H17BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(8-9-18-14)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,19,20)
InChIKeyKXZIJXQGPIRKCB-UHFFFAOYSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(2-bromophenyl)-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

tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
tert-butyl N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080649
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] benzoate
CID 174480721
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[4-(1-bromo-2-oxo-2-phenylethyl)-2-pyridinyl]carbamate;hydrobromide
CID 11712544
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
CID 156773284
4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 175667065
tert-butyl N-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate (CID 173234410) is tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-c2ccccc2Br)ccn1.
What is the InChIKey of tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate?
The InChIKey is KXZIJXQGPIRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(8-9-18-14)12-6-4-5-7-13(12)17/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate has a molecular weight of 349.23 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 173234410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).