3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde

C13H10FNO2 — CID 166638981

IUPAC3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(F)cn1
InChIInChI=1S/C13H10FNO2/c1-17-13-5-2-9(8-16)6-11(13)12-4-3-10(14)7-15-12/h2-8H,1H3
InChIKeyIYDMMJQLSZBUCV-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.71
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde

3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde (PubChem CID 166638981) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
PubChem CID166638981
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(F)cn1
InChIInChI=1S/C13H10FNO2/c1-17-13-5-2-9(8-16)6-11(13)12-4-3-10(14)7-15-12/h2-8H,1H3
InChIKeyIYDMMJQLSZBUCV-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.71
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

3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222044
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 104643337
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde (CID 166638981) is 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde?
The InChIKey is IYDMMJQLSZBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-13-5-2-9(8-16)6-11(13)12-4-3-10(14)7-15-12/h2-8H,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde?
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde has a molecular weight of 231.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 166638981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).