5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde

C9H10FNO2 — CID 131547635

IUPAC5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde
SMILESCC(C)Oc1ncc(C=O)cc1F
InChIInChI=1S/C9H10FNO2/c1-6(2)13-9-8(10)3-7(5-12)4-11-9/h3-6H,1-2H3
InChIKeyOUJKTMZLOZQEOD-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.82
Rot. Bonds3

About 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde

5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde (PubChem CID 131547635) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde
PubChem CID131547635
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde
SMILESCC(C)Oc1ncc(C=O)cc1F
InChIInChI=1S/C9H10FNO2/c1-6(2)13-9-8(10)3-7(5-12)4-11-9/h3-6H,1-2H3
InChIKeyOUJKTMZLOZQEOD-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.82
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-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde
CID 138702850
(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid
CID 170307338
6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
CID 177047075
6-amino-5-fluoropyridine-3-carbaldehyde
CID 131028659
3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 163198159
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
3,5-difluoro-4-[methyl(2-propan-2-yloxyethyl)amino]benzaldehyde
CID 81055899
5-methoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 67025414
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
(2-fluoro-5-formyl-3-propan-2-yloxyphenyl)boronic acid
CID 171367851

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde (CID 131547635) is 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde is CC(C)Oc1ncc(C=O)cc1F.
What is the InChIKey of 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde?
The InChIKey is OUJKTMZLOZQEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(2)13-9-8(10)3-7(5-12)4-11-9/h3-6H,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde?
5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde has a molecular weight of 183.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde is sourced from PubChem (CID 131547635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).