2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde

C13H10FNO3 — CID 171417612

IUPAC2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cncc(F)c1
InChIInChI=1S/C13H10FNO3/c14-10-4-9(5-15-6-10)8-18-13-3-1-2-12(17)11(13)7-16/h1-7,17H,8H2
InChIKeyBQAKMEWPHAWDGG-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.32
Rot. Bonds4

About 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde

2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde (PubChem CID 171417612) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
PubChem CID171417612
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cncc(F)c1
InChIInChI=1S/C13H10FNO3/c14-10-4-9(5-15-6-10)8-18-13-3-1-2-12(17)11(13)7-16/h1-7,17H,8H2
InChIKeyBQAKMEWPHAWDGG-UHFFFAOYSA-N
XLogP2.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16228199
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
7-Methoxy-2-(pyridin-3-YL)chroman-4-one
CID 10777387
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 25133922
7-Fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
CID 127028817
3-Hydroxy-4-(methoxycarbonyl)phenyl isonicotinate
CID 3678354
1-{2-Hydroxy-3-methyl-4-[4-(pyridin-2-yloxy)-butoxy]-phenyl}-3-methyl-butan-1-one
CID 11631795
1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-yloxy)-butoxy]-phenyl}-3-methyl-butan-1-one
CID 11710164
3-Fluoro-2-hydroxy-5-(6-methoxypyridin-3-yl)benzaldehyde
CID 59599889
Mls000737281
CID 242587
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 9861456

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde (CID 171417612) is 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCc1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The InChIKey is BQAKMEWPHAWDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-4-9(5-15-6-10)8-18-13-3-1-2-12(17)11(13)7-16/h1-7,17H,8H2.
What are the key properties of 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde has a molecular weight of 247.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 171417612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).