5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide

C9H11FN2O2 — CID 91562119

IUPAC5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(C)c(OCF)c1
InChIInChI=1S/C9H11FN2O2/c1-6-8(14-5-10)3-7(4-12-6)9(13)11-2/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyNJOQOHCPXJBTNH-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.06
Rot. Bonds3

About 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide

5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 91562119) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide
PubChem CID91562119
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(C)c(OCF)c1
InChIInChI=1S/C9H11FN2O2/c1-6-8(14-5-10)3-7(4-12-6)9(13)11-2/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyNJOQOHCPXJBTNH-UHFFFAOYSA-N
XLogP1.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide (CID 91562119) is 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide is CNC(=O)c1cnc(C)c(OCF)c1.
What is the InChIKey of 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is NJOQOHCPXJBTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-6-8(14-5-10)3-7(4-12-6)9(13)11-2/h3-4H,5H2,1-2H3,(H,11,13).
What are the key properties of 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide?
5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91562119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).