tert-butyl N-(6-bromo-3-pyridinyl)carbamate

C10H13BrN2O2 — CID 7204889

IUPACtert-butyl N-(6-bromo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKeyLSFAQGJWQMNXLP-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.19
Rot. Bonds1

About tert-butyl N-(6-bromo-3-pyridinyl)carbamate

tert-butyl N-(6-bromo-3-pyridinyl)carbamate (PubChem CID 7204889) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-3-pyridinyl)carbamate
PubChem CID7204889
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Nametert-butyl N-(6-bromo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKeyLSFAQGJWQMNXLP-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Bromopyridin-3-amine
CID 642811
3-Amino-2-bromopyridine
CID 642816
ethyl N-(pyridin-3-yl)carbamate
CID 235275
Cyclopentyl pyridin-3-ylcarbamate
CID 694562
(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
CID 7330593
tert-butyl N-(2-methylpyridin-3-yl)carbamate
CID 68563825
4-(Boc-amino)pyridine
CID 9990210
3-Amino-4-(Boc-amino)pyridine
CID 11095863
2,2,2-trifluoroethyl N-(pyridin-3-yl)carbamate
CID 8851547
3-(Boc-amino)pyridine
CID 10932321
3-(N-BOC-aminomethyl)-5-bromopyridine
CID 46739290
N-Boc-2-aminomethylpyridine
CID 12069550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-3-pyridinyl)carbamate (CID 7204889) is tert-butyl N-(6-bromo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Br)nc1.
What is the InChIKey of tert-butyl N-(6-bromo-3-pyridinyl)carbamate?
The InChIKey is LSFAQGJWQMNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(6-bromo-3-pyridinyl)carbamate?
tert-butyl N-(6-bromo-3-pyridinyl)carbamate has a molecular weight of 273.13 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-3-pyridinyl)carbamate is sourced from PubChem (CID 7204889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).