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

C10H14FN3O2 — CID 135132369

IUPACtert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(N)n1
InChIInChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-7-5-4-6(11)8(12)13-7/h4-5H,1-3H3,(H3,12,13,14,15)
InChIKeyYEXAFFFCXBGIIJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.15
Rot. Bonds1

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

tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate (PubChem CID 135132369) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
PubChem CID135132369
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Nametert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(N)n1
InChIInChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-7-5-4-6(11)8(12)13-7/h4-5H,1-3H3,(H3,12,13,14,15)
InChIKeyYEXAFFFCXBGIIJ-UHFFFAOYSA-N
XLogP2.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate (CID 135132369) is tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(N)n1.
What is the InChIKey of tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate?
The InChIKey is YEXAFFFCXBGIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-7-5-4-6(11)8(12)13-7/h4-5H,1-3H3,(H3,12,13,14,15).
What are the key properties of tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate?
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate has a molecular weight of 227.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 135132369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).