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

C10H14FN3O2 — CID 124909096

IUPACtert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyYMVBRHDTBBTETR-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.07
Rot. Bonds2

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

tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate (PubChem CID 124909096) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
PubChem CID124909096
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Nametert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyYMVBRHDTBBTETR-UHFFFAOYSA-N
XLogP2.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl (2S)-2-[[(5-fluoro-2-pyridinyl)amino]carbamoyl]-2-methylpyrrolidine-1-carboxylate
CID 129277246
(2S)-N'-(5-fluoro-2-pyridinyl)-2-methylbutanehydrazide
CID 137354634
tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
CID 10991747
tert-butyl N-[[5-amino-6-(2-chloro-5-fluorophenoxy)-2-pyridinyl]amino]carbamate
CID 170436054
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
CID 174657616
tert-butyl N-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamate;ethane
CID 177168278
tert-butyl N-[1-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166226334
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate (CID 124909096) is tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate is CC(C)(C)OC(=O)NNc1ccc(F)cn1.
What is the InChIKey of tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate?
The InChIKey is YMVBRHDTBBTETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate?
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate has a molecular weight of 227.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate is sourced from PubChem (CID 124909096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).