tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate

C11H15FN2O3 — CID 130951307

IUPACtert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(F)cc1CO
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16)
InChIKeyROMRFFSCYZUGQP-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate

tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate (PubChem CID 130951307) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate
PubChem CID130951307
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(F)cc1CO
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16)
InChIKeyROMRFFSCYZUGQP-UHFFFAOYSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate (CID 130951307) is tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cnc(F)cc1CO.
What is the InChIKey of tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The InChIKey is ROMRFFSCYZUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate?
tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate has a molecular weight of 242.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-fluoro-4-(hydroxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 130951307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).