benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate

C13H11IN2O3 — CID 10044624

IUPACbenzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
SMILESO=C(Nc1cc(I)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C13H11IN2O3/c14-10-6-11(12(17)15-7-10)16-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyVHYSSNYCKHBKPQ-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.73
Rot. Bonds3

About benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate

benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate (PubChem CID 10044624) has the molecular formula C13H11IN2O3 and a molecular weight of 370.15 g/mol. Its IUPAC name is benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
PubChem CID10044624
Molecular FormulaC13H11IN2O3
Molecular Weight370.15 g/mol
Exact Mass369.98
IUPAC Namebenzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
SMILESO=C(Nc1cc(I)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C13H11IN2O3/c14-10-6-11(12(17)15-7-10)16-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyVHYSSNYCKHBKPQ-UHFFFAOYSA-N
XLogP2.73
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate;1-iodopyrrolidine-2,5-dione
CID 87581106
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456
benzyl N-(2-bromophenyl)carbamate
CID 4935706
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The IUPAC name of benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate (CID 10044624) is benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate is O=C(Nc1cc(I)c[nH]c1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
The InChIKey is VHYSSNYCKHBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3/c14-10-6-11(12(17)15-7-10)16-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate?
benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate has a molecular weight of 370.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 10044624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).