methyl 3-fluoropyridine-4-carboxylate

C7H6FNO2 — CID 46311148

IUPACmethyl 3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1F
InChIInChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKeyKAXQMQPQJSMLLM-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.01
Rot. Bonds1

About methyl 3-fluoropyridine-4-carboxylate

methyl 3-fluoropyridine-4-carboxylate (PubChem CID 46311148) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is methyl 3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoropyridine-4-carboxylate
PubChem CID46311148
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Namemethyl 3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1F
InChIInChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKeyKAXQMQPQJSMLLM-UHFFFAOYSA-N
XLogP1.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-fluoropyridine-4-carboxylate 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 3-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 3-fluoropyridine-4-carboxylate (CID 46311148) is methyl 3-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 3-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 3-fluoropyridine-4-carboxylate is COC(=O)c1ccncc1F.
What is the InChIKey of methyl 3-fluoropyridine-4-carboxylate?
The InChIKey is KAXQMQPQJSMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3.
What are the key properties of methyl 3-fluoropyridine-4-carboxylate?
methyl 3-fluoropyridine-4-carboxylate has a molecular weight of 155.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 46311148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).