6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide

C19H13FN2O3 — CID 154203679

IUPAC6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Oc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C19H13FN2O3/c20-17-9-8-16(18(21)24)19(22-17)25-15-3-1-2-14(10-15)13-6-4-12(11-23)5-7-13/h1-11H,(H2,21,24)
InChIKeyRWNMFXXSCCHLTK-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.59
Rot. Bonds5

About 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide

6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide (PubChem CID 154203679) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide
PubChem CID154203679
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(F)nc1Oc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C19H13FN2O3/c20-17-9-8-16(18(21)24)19(22-17)25-15-3-1-2-14(10-15)13-6-4-12(11-23)5-7-13/h1-11H,(H2,21,24)
InChIKeyRWNMFXXSCCHLTK-UHFFFAOYSA-N
XLogP3.59
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide (CID 154203679) is 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(F)nc1Oc1cccc(-c2ccc(C=O)cc2)c1.
What is the InChIKey of 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is RWNMFXXSCCHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-17-9-8-16(18(21)24)19(22-17)25-15-3-1-2-14(10-15)13-6-4-12(11-23)5-7-13/h1-11H,(H2,21,24).
What are the key properties of 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide?
6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 154203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).