tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate

C13H18FN3O2 — CID 169467128

IUPACtert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1nc(F)ccc1N
InChIInChI=1S/C13H18FN3O2/c1-13(2,3)19-12(18)16-8-4-5-10-9(15)6-7-11(14)17-10/h4-7H,8,15H2,1-3H3,(H,16,18)
InChIKeySRVRUEQBMASIQJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.34
Rot. Bonds3

About tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169467128) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169467128
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Nametert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1nc(F)ccc1N
InChIInChI=1S/C13H18FN3O2/c1-13(2,3)19-12(18)16-8-4-5-10-9(15)6-7-11(14)17-10/h4-7H,8,15H2,1-3H3,(H,16,18)
InChIKeySRVRUEQBMASIQJ-UHFFFAOYSA-N
XLogP2.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[3-(6-amino-2,3-difluorophenyl)prop-2-enyl]carbamate
CID 169467550
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
CID 169468895
CID 89268543
CID 89268543
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[4-(2,6-difluoro-3-pyridinyl)but-3-enyl]carbamate
CID 170490190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate (CID 169467128) is tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1nc(F)ccc1N.
What is the InChIKey of tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is SRVRUEQBMASIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-13(2,3)19-12(18)16-8-4-5-10-9(15)6-7-11(14)17-10/h4-7H,8,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 267.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).