3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde

C16H13FN2O2 — CID 115955824

IUPAC3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
SMILESCn1nc(COc2c(F)cccc2C=O)c2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-19-15-8-3-2-6-12(15)14(18-19)10-21-16-11(9-20)5-4-7-13(16)17/h2-9H,10H2,1H3
InChIKeyBBUNAKLYZCAPNG-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds4

About 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde

3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde (PubChem CID 115955824) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
PubChem CID115955824
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
SMILESCn1nc(COc2c(F)cccc2C=O)c2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-19-15-8-3-2-6-12(15)14(18-19)10-21-16-11(9-20)5-4-7-13(16)17/h2-9H,10H2,1H3
InChIKeyBBUNAKLYZCAPNG-UHFFFAOYSA-N
XLogP3.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
CID 115952034
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-3-fluorobenzaldehyde
CID 115955823
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde (CID 115955824) is 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde is Cn1nc(COc2c(F)cccc2C=O)c2ccccc21.
What is the InChIKey of 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde?
The InChIKey is BBUNAKLYZCAPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19-15-8-3-2-6-12(15)14(18-19)10-21-16-11(9-20)5-4-7-13(16)17/h2-9H,10H2,1H3.
What are the key properties of 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde?
3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde has a molecular weight of 284.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde is sourced from PubChem (CID 115955824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).