tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate

C11H13FN2O3 — CID 142536295

IUPACtert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)c(C=O)cn1
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)17-10(16)14-9-4-8(12)7(6-15)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyKHJKEVPLFUNDAM-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate

tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate (PubChem CID 142536295) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
PubChem CID142536295
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nametert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)c(C=O)cn1
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)17-10(16)14-9-4-8(12)7(6-15)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyKHJKEVPLFUNDAM-UHFFFAOYSA-N
XLogP2.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
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-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
CID 163399231
tert-butyl N-(2-chloro-4-fluoro-5-formylphenyl)carbamate
CID 84810121
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-(6-chloro-4-formyl-3-pyridinyl)carbamate
CID 58524401
tert-butyl N-(4-chloro-3-fluoro-5-formylphenyl)carbamate
CID 84810125
tert-butyl N-[2-(aminomethyl)-5-fluoro-4-formylphenyl]carbamate
CID 143773952
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate (CID 142536295) is tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cc(F)c(C=O)cn1.
What is the InChIKey of tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate?
The InChIKey is KHJKEVPLFUNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-11(2,3)17-10(16)14-9-4-8(12)7(6-15)5-13-9/h4-6H,1-3H3,(H,13,14,16).
What are the key properties of tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate?
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate has a molecular weight of 240.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate is sourced from PubChem (CID 142536295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).