tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate

C14H19FN2O3 — CID 162687438

IUPACtert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(F)cc1[C@@H]1CCCO1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-10-8-16-12(15)7-9(10)11-5-4-6-19-11/h7-8,11H,4-6H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeySMFNHZGHPMHAGP-NSHDSACASA-N
MW282.31 g/mol
LogP3.42
Rot. Bonds2

About tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate

tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate (PubChem CID 162687438) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate
PubChem CID162687438
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(F)cc1[C@@H]1CCCO1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-10-8-16-12(15)7-9(10)11-5-4-6-19-11/h7-8,11H,4-6H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeySMFNHZGHPMHAGP-NSHDSACASA-N
XLogP3.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate (CID 162687438) is tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cnc(F)cc1[C@@H]1CCCO1.
What is the InChIKey of tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate?
The InChIKey is SMFNHZGHPMHAGP-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-10-8-16-12(15)7-9(10)11-5-4-6-19-11/h7-8,11H,4-6H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate?
tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-fluoro-4-[(2S)-oxolan-2-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 162687438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).