methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate

C8H9FN2O2 — CID 137390539

IUPACmethyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1c(C)cncc1F
InChIInChI=1S/C8H9FN2O2/c1-5-3-10-4-6(9)7(5)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12)
InChIKeyNVJCTCKZHJGFQP-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.71
Rot. Bonds1

About methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate

methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate (PubChem CID 137390539) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate
PubChem CID137390539
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1c(C)cncc1F
InChIInChI=1S/C8H9FN2O2/c1-5-3-10-4-6(9)7(5)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12)
InChIKeyNVJCTCKZHJGFQP-UHFFFAOYSA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(3-fluoro-5-methyl-4-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 methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate?
The IUPAC name of methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate (CID 137390539) is methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate?
The canonical SMILES for methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate is COC(=O)Nc1c(C)cncc1F.
What is the InChIKey of methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate?
The InChIKey is NVJCTCKZHJGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-3-10-4-6(9)7(5)11-8(12)13-2/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate?
methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 137390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).