tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate

C15H16FN3O2 — CID 171682686

IUPACtert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-13-6-4-5-12(18-13)11-8-7-10(16)9-17-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyQZVSOLNMESTPAW-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate

tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate (PubChem CID 171682686) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
PubChem CID171682686
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Nametert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-13-6-4-5-12(18-13)11-8-7-10(16)9-17-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyQZVSOLNMESTPAW-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
CID 59166177
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate (CID 171682686) is tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccc(F)cn2)n1.
What is the InChIKey of tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate?
The InChIKey is QZVSOLNMESTPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-13-6-4-5-12(18-13)11-8-7-10(16)9-17-11/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate?
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.63, 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-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 171682686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).