tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate

C18H19FN2O3 — CID 141299051

IUPACtert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C=O)cc1Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)24-17(23)21-16-14(8-12(11-22)10-20-16)9-13-6-4-5-7-15(13)19/h4-8,10-11H,9H2,1-3H3,(H,20,21,23)
InChIKeyQAICBONRUNGVCL-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate

tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate (PubChem CID 141299051) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate
PubChem CID141299051
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nametert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C=O)cc1Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)24-17(23)21-16-14(8-12(11-22)10-20-16)9-13-6-4-5-7-15(13)19/h4-8,10-11H,9H2,1-3H3,(H,20,21,23)
InChIKeyQAICBONRUNGVCL-UHFFFAOYSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate (CID 141299051) is tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ncc(C=O)cc1Cc1ccccc1F.
What is the InChIKey of tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate?
The InChIKey is QAICBONRUNGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,3)24-17(23)21-16-14(8-12(11-22)10-20-16)9-13-6-4-5-7-15(13)19/h4-8,10-11H,9H2,1-3H3,(H,20,21,23).
What are the key properties of tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate?
tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate has a molecular weight of 330.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate is sourced from PubChem (CID 141299051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).