1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate

C11H15FN2O2 — CID 68809524

IUPAC1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate
SMILESCCCC(F)OC(=O)Nc1ncccc1C
InChIInChI=1S/C11H15FN2O2/c1-3-5-9(12)16-11(15)14-10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyCPFXPMFNWMUWBY-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.03
Rot. Bonds4

About 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate

1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate (PubChem CID 68809524) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate
PubChem CID68809524
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate
SMILESCCCC(F)OC(=O)Nc1ncccc1C
InChIInChI=1S/C11H15FN2O2/c1-3-5-9(12)16-11(15)14-10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyCPFXPMFNWMUWBY-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate?
The IUPAC name of 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate (CID 68809524) is 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate?
The canonical SMILES for 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate is CCCC(F)OC(=O)Nc1ncccc1C.
What is the InChIKey of 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate?
The InChIKey is CPFXPMFNWMUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-5-9(12)16-11(15)14-10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate?
1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate has a molecular weight of 226.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl N-(3-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 68809524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).