ethyl N-(6-fluoro-2-pyridinyl)carbamate

C8H9FN2O2 — CID 45119575

IUPACethyl N-(6-fluoro-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyHLZBDOHXDHOHIY-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.79
Rot. Bonds2

About ethyl N-(6-fluoro-2-pyridinyl)carbamate

ethyl N-(6-fluoro-2-pyridinyl)carbamate (PubChem CID 45119575) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is ethyl N-(6-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-fluoro-2-pyridinyl)carbamate
PubChem CID45119575
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Nameethyl N-(6-fluoro-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyHLZBDOHXDHOHIY-UHFFFAOYSA-N
XLogP1.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.79
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

ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
CID 104821537
ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
CID 11740067
N-(6-fluoro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 113456880
2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 171399370
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-fluoro-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(6-fluoro-2-pyridinyl)carbamate (CID 45119575) is ethyl N-(6-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(6-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(6-fluoro-2-pyridinyl)carbamate is CCOC(=O)Nc1cccc(F)n1.
What is the InChIKey of ethyl N-(6-fluoro-2-pyridinyl)carbamate?
The InChIKey is HLZBDOHXDHOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-13-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of ethyl N-(6-fluoro-2-pyridinyl)carbamate?
ethyl N-(6-fluoro-2-pyridinyl)carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 45119575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).