tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H21FN2O4 — CID 58402559

IUPACtert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(F)n1
InChIInChI=1S/C15H21FN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-7-8-10(16)17-11/h7-9H,1-6H3
InChIKeySAVDJOHRZZNCQG-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.90
Rot. Bonds1

About tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 58402559) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID58402559
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(F)n1
InChIInChI=1S/C15H21FN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-7-8-10(16)17-11/h7-9H,1-6H3
InChIKeySAVDJOHRZZNCQG-UHFFFAOYSA-N
XLogP3.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-[6-(bromomethyl)-2-pyridinyl]-N-(2-hydroxyacetyl)carbamate
CID 89367852
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-[4-[2-(6-fluoro-2-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426720
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(1,2-oxazol-3-yl)carbamate
CID 143306534
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-prop-1-en-2-ylpyrimidin-4-yl)carbamate
CID 166129397
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine
CID 157270374
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
tert-butyl N-benzoyl-N-[6-(bromomethyl)-2-pyridinyl]carbamate;tert-butyl N-benzoyl-N-(6-methyl-2-pyridinyl)carbamate
CID 161252198
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(4-fluoro-5-iodo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163238627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 58402559) is tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(F)n1.
What is the InChIKey of tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is SAVDJOHRZZNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-7-8-10(16)17-11/h7-9H,1-6H3.
What are the key properties of tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 312.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 58402559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).