methyl N-(3-iodo-4-pyridinyl)carbamate

C7H7IN2O2 — CID 130741771

IUPACmethyl N-(3-iodo-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccncc1I
InChIInChI=1S/C7H7IN2O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,1H3,(H,9,10,11)
InChIKeyFOSDFUDXOAEWJS-UHFFFAOYSA-N
MW278.05 g/mol
LogP1.86
Rot. Bonds1

About methyl N-(3-iodo-4-pyridinyl)carbamate

methyl N-(3-iodo-4-pyridinyl)carbamate (PubChem CID 130741771) has the molecular formula C7H7IN2O2 and a molecular weight of 278.05 g/mol. Its IUPAC name is methyl N-(3-iodo-4-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-iodo-4-pyridinyl)carbamate
PubChem CID130741771
Molecular FormulaC7H7IN2O2
Molecular Weight278.05 g/mol
Exact Mass277.96
IUPAC Namemethyl N-(3-iodo-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccncc1I
InChIInChI=1S/C7H7IN2O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,1H3,(H,9,10,11)
InChIKeyFOSDFUDXOAEWJS-UHFFFAOYSA-N
XLogP1.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iodo-4-pyridinyl)-1,1-dimethylurea
CID 131102258
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
(E)-3-(3,5-dimethoxyphenyl)-N-(3-iodo-4-pyridinyl)prop-2-enamide
CID 75380093
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide
CID 167827365
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
CID 12069537
methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
CID 143011020
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-iodo-4-pyridinyl)carbamate?
The IUPAC name of methyl N-(3-iodo-4-pyridinyl)carbamate (CID 130741771) is methyl N-(3-iodo-4-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(3-iodo-4-pyridinyl)carbamate?
The canonical SMILES for methyl N-(3-iodo-4-pyridinyl)carbamate is COC(=O)Nc1ccncc1I.
What is the InChIKey of methyl N-(3-iodo-4-pyridinyl)carbamate?
The InChIKey is FOSDFUDXOAEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,1H3,(H,9,10,11).
What are the key properties of methyl N-(3-iodo-4-pyridinyl)carbamate?
methyl N-(3-iodo-4-pyridinyl)carbamate has a molecular weight of 278.05 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-iodo-4-pyridinyl)carbamate is sourced from PubChem (CID 130741771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).