4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide

C13H11FN2O2 — CID 23130409

IUPAC4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide
SMILESNC(=O)c1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H11FN2O2/c14-11-2-1-3-12(16-11)18-8-9-4-6-10(7-5-9)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeyOTMIWTHOXKKWBO-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.90
Rot. Bonds4

About 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide

4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide (PubChem CID 23130409) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide
PubChem CID23130409
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide
SMILESNC(=O)c1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H11FN2O2/c14-11-2-1-3-12(16-11)18-8-9-4-6-10(7-5-9)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeyOTMIWTHOXKKWBO-UHFFFAOYSA-N
XLogP1.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Benzyloxy)pyridine-3-carboxamide
CID 252472
2,6-Difluoro-3-[(6-methyl-2-pyridinyl)methoxy]benzamide
CID 46237010
4-(Pyridin-2-yloxy)benzamide
CID 54536157
4-(6-Methoxy-3-pyridinyl)benzamide
CID 140999007
6-[3-(Trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 5134749
Pyridin-2-yl 4-fluorobenzoate
CID 3882357
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylbenzamide
CID 76546951
1-(2-Fluorophenyl)-2-(6-methoxy-2-pyridinyl)ethanone
CID 122208293
Benzoic acid 6-(trifluoromethyl)-2-pyridyl ester
CID 132570964
3-[4-[(6-Fluoro-2-pyridinyl)oxy]butyl]-2,3-dihydrochromen-4-one
CID 138963247
Pyridin-2-yl 2-fluorobenzoate
CID 844326
4-(6-Methoxy-2-pyridinyl)benzaldehyde
CID 3675823

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide (CID 23130409) is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide is NC(=O)c1ccc(COc2cccc(F)n2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide?
The InChIKey is OTMIWTHOXKKWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-2-1-3-12(16-11)18-8-9-4-6-10(7-5-9)13(15)17/h1-7H,8H2,(H2,15,17).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide?
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide has a molecular weight of 246.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 23130409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).