6-(fluoromethyl)pyridine-3-carboxylate

C7H5FNO2- — CID 19888055

IUPAC6-(fluoromethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(CF)nc1
InChIInChI=1S/C7H6FNO2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,3H2,(H,10,11)/p-1
InChIKeyORXKMNLVJJXPQE-UHFFFAOYSA-M
MW154.12 g/mol
LogP-0.09
Rot. Bonds2

About 6-(fluoromethyl)pyridine-3-carboxylate

6-(fluoromethyl)pyridine-3-carboxylate (PubChem CID 19888055) has the molecular formula C7H5FNO2- and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-(fluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name6-(fluoromethyl)pyridine-3-carboxylate
PubChem CID19888055
Molecular FormulaC7H5FNO2-
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name6-(fluoromethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1ccc(CF)nc1
InChIInChI=1S/C7H6FNO2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,3H2,(H,10,11)/p-1
InChIKeyORXKMNLVJJXPQE-UHFFFAOYSA-M
XLogP-0.09
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)pyridine-3-carboxylate?
The IUPAC name of 6-(fluoromethyl)pyridine-3-carboxylate (CID 19888055) is 6-(fluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for 6-(fluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for 6-(fluoromethyl)pyridine-3-carboxylate is O=C([O-])c1ccc(CF)nc1.
What is the InChIKey of 6-(fluoromethyl)pyridine-3-carboxylate?
The InChIKey is ORXKMNLVJJXPQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6FNO2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,3H2,(H,10,11)/p-1.
What are the key properties of 6-(fluoromethyl)pyridine-3-carboxylate?
6-(fluoromethyl)pyridine-3-carboxylate has a molecular weight of 154.12 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 19888055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).