methyl 5-fluoropyridine-2-carboxylate

C7H6FNO2 — CID 23053520

IUPACmethyl 5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)cn1
InChIInChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKeyKCMBKUFSDZMQEM-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.01
Rot. Bonds1

About methyl 5-fluoropyridine-2-carboxylate

methyl 5-fluoropyridine-2-carboxylate (PubChem CID 23053520) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is methyl 5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoropyridine-2-carboxylate
PubChem CID23053520
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Namemethyl 5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)cn1
InChIInChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKeyKCMBKUFSDZMQEM-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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoropyridine-2-carboxylate (CID 23053520) is methyl 5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)cn1.
What is the InChIKey of methyl 5-fluoropyridine-2-carboxylate?
The InChIKey is KCMBKUFSDZMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3.
What are the key properties of methyl 5-fluoropyridine-2-carboxylate?
methyl 5-fluoropyridine-2-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 5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 23053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).