benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate

C13H10BrClN2O2 — CID 91757699

IUPACbenzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate
SMILESO=C(Nc1ncc(Br)cc1Cl)OCc1ccccc1
InChIInChI=1S/C13H10BrClN2O2/c14-10-6-11(15)12(16-7-10)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,18)
InChIKeyJYIBEGXBJICXNS-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.25
Rot. Bonds3

About benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate

benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate (PubChem CID 91757699) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate
PubChem CID91757699
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Namebenzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate
SMILESO=C(Nc1ncc(Br)cc1Cl)OCc1ccccc1
InChIInChI=1S/C13H10BrClN2O2/c14-10-6-11(15)12(16-7-10)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,18)
InChIKeyJYIBEGXBJICXNS-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
5-bromo-3-(phenylmethoxycarbonylamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 167730398
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-[3-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171857015
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
5-bromo-2-(phenylmethoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167740348
benzyl N-(2-bromophenyl)carbamate
CID 4935706
ethyl 3-[(5-bromo-3-chloro-2-pyridinyl)carbamoylamino]-3-phenylbutanoate
CID 140758100
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl 6-bromo-4-chloropyridine-3-carboxylate
CID 155342380
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate?
The IUPAC name of benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate (CID 91757699) is benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate is O=C(Nc1ncc(Br)cc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate?
The InChIKey is JYIBEGXBJICXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-10-6-11(15)12(16-7-10)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,18).
What are the key properties of benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate?
benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate has a molecular weight of 341.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 91757699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).