(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate

C10H11FN2O4 — CID 156808791

IUPAC(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate
SMILESCOC(=O)OCc1ccnc(NC(C)=O)c1F
InChIInChI=1S/C10H11FN2O4/c1-6(14)13-9-8(11)7(3-4-12-9)5-17-10(15)16-2/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyJVPXEIWYNNMQAM-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.46
Rot. Bonds3

About (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate

(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate (PubChem CID 156808791) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate.

Molecular Properties

Compound Name(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate
PubChem CID156808791
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate
SMILESCOC(=O)OCc1ccnc(NC(C)=O)c1F
InChIInChI=1S/C10H11FN2O4/c1-6(14)13-9-8(11)7(3-4-12-9)5-17-10(15)16-2/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyJVPXEIWYNNMQAM-UHFFFAOYSA-N
XLogP1.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-(hydroxymethyl)-2-pyridinyl]acetamide;methanesulfonic acid
CID 170992838
1-[4-(bromomethyl)-3-fluoro-2-pyridinyl]-3-ethylurea
CID 172603472
[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate
CID 70163345
[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
CID 105383169
tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate
CID 59769540
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
CID 105390366
N-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 121357632
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
6-acetamido-5-fluoropyrimidine-4-carboxylic acid
CID 167727873

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate?
The IUPAC name of (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate (CID 156808791) is (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate.
What is the SMILES notation for (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate?
The canonical SMILES for (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate is COC(=O)OCc1ccnc(NC(C)=O)c1F.
What is the InChIKey of (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate?
The InChIKey is JVPXEIWYNNMQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-6(14)13-9-8(11)7(3-4-12-9)5-17-10(15)16-2/h3-4H,5H2,1-2H3,(H,12,13,14).
What are the key properties of (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate?
(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate has a molecular weight of 242.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate is sourced from PubChem (CID 156808791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).