phenyl N-(6-fluoro-3-pyridinyl)carbamate

C12H9FN2O2 — CID 59313675

IUPACphenyl N-(6-fluoro-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc(F)nc1)Oc1ccccc1
InChIInChI=1S/C12H9FN2O2/c13-11-7-6-9(8-14-11)15-12(16)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyGNBNURCPHKLXIF-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.83
Rot. Bonds2

About phenyl N-(6-fluoro-3-pyridinyl)carbamate

phenyl N-(6-fluoro-3-pyridinyl)carbamate (PubChem CID 59313675) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is phenyl N-(6-fluoro-3-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-fluoro-3-pyridinyl)carbamate
PubChem CID59313675
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namephenyl N-(6-fluoro-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc(F)nc1)Oc1ccccc1
InChIInChI=1S/C12H9FN2O2/c13-11-7-6-9(8-14-11)15-12(16)17-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyGNBNURCPHKLXIF-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.83
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

N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
phenyl 6-fluoropyridine-3-carboxylate
CID 145020891
phenyl N-(4-iodophenyl)carbamate
CID 73442286
phenyl N-[6-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-3-pyridinyl]carbamate
CID 169322761
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(2-fluorophenyl)carbamate
CID 3790948

Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-fluoro-3-pyridinyl)carbamate?
The IUPAC name of phenyl N-(6-fluoro-3-pyridinyl)carbamate (CID 59313675) is phenyl N-(6-fluoro-3-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(6-fluoro-3-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(6-fluoro-3-pyridinyl)carbamate is O=C(Nc1ccc(F)nc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(6-fluoro-3-pyridinyl)carbamate?
The InChIKey is GNBNURCPHKLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-11-7-6-9(8-14-11)15-12(16)17-10-4-2-1-3-5-10/h1-8H,(H,15,16).
What are the key properties of phenyl N-(6-fluoro-3-pyridinyl)carbamate?
phenyl N-(6-fluoro-3-pyridinyl)carbamate has a molecular weight of 232.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-fluoro-3-pyridinyl)carbamate is sourced from PubChem (CID 59313675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).