5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde

C13H10FNO2 — CID 11172291

IUPAC5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2
InChIKeyIQBXFYDFROSWAS-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.61
Rot. Bonds4

About 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde

5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde (PubChem CID 11172291) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde
PubChem CID11172291
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(F)c2)cn1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2
InChIKeyIQBXFYDFROSWAS-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
5H-Pyrido(3,2-a)phenoxazin-5-one
CID 10106046
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
6-(4-Fluorophenoxy)pyridine-3-carbaldehyde
CID 3382953
5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
1-Aza-5h-benzo[a]phenoxazin-5-one
CID 21791870
3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
CID 3242485
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
4-(Pyridin-2-ylmethoxy)benzaldehyde
CID 759667
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde (CID 11172291) is 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCc2cccc(F)c2)cn1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is IQBXFYDFROSWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2.
What are the key properties of 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde?
5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 231.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 11172291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).