3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde

C13H10FNO2 — CID 112611761

IUPAC3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccnc1
InChIInChI=1S/C13H10FNO2/c14-12-5-1-4-11(8-16)13(12)17-9-10-3-2-6-15-7-10/h1-8H,9H2
InChIKeyNTMAIHIVFZZXQJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.61
Rot. Bonds4

About 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde

3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 112611761) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID112611761
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(F)c1OCc1cccnc1
InChIInChI=1S/C13H10FNO2/c14-12-5-1-4-11(8-16)13(12)17-9-10-3-2-6-15-7-10/h1-8H,9H2
InChIKeyNTMAIHIVFZZXQJ-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

3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
CID 122475316
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 89247019

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde (CID 112611761) is 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde is O=Cc1cccc(F)c1OCc1cccnc1.
What is the InChIKey of 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is NTMAIHIVFZZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-5-1-4-11(8-16)13(12)17-9-10-3-2-6-15-7-10/h1-8H,9H2.
What are the key properties of 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde?
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde 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 3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).