2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide

C10H12F2N2O3 — CID 90803800

IUPAC2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide
SMILESCOC(F)c1ccc(C(N)=O)c(C(F)OC)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-8(11)6-4-3-5(10(13)15)7(14-6)9(12)17-2/h3-4,8-9H,1-2H3,(H2,13,15)
InChIKeyMXAKZVOAVREVIZ-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.41
Rot. Bonds5

About 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide

2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide (PubChem CID 90803800) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide
PubChem CID90803800
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide
SMILESCOC(F)c1ccc(C(N)=O)c(C(F)OC)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-8(11)6-4-3-5(10(13)15)7(14-6)9(12)17-2/h3-4,8-9H,1-2H3,(H2,13,15)
InChIKeyMXAKZVOAVREVIZ-UHFFFAOYSA-N
XLogP1.41
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide (CID 90803800) is 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide is COC(F)c1ccc(C(N)=O)c(C(F)OC)n1.
What is the InChIKey of 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide?
The InChIKey is MXAKZVOAVREVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-16-8(11)6-4-3-5(10(13)15)7(14-6)9(12)17-2/h3-4,8-9H,1-2H3,(H2,13,15).
What are the key properties of 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide?
2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide has a molecular weight of 246.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[fluoro(methoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90803800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).