5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde

C9H6FNO2 — CID 169485084

IUPAC5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C#CCO)ncc1F
InChIInChI=1S/C9H6FNO2/c10-9-5-11-8(2-1-3-12)4-7(9)6-13/h4-6,12H,3H2
InChIKeyLGGNWKOXRBTZRH-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.38
Rot. Bonds1

About 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde

5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde (PubChem CID 169485084) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
PubChem CID169485084
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C#CCO)ncc1F
InChIInChI=1S/C9H6FNO2/c10-9-5-11-8(2-1-3-12)4-7(9)6-13/h4-6,12H,3H2
InChIKeyLGGNWKOXRBTZRH-UHFFFAOYSA-N
XLogP0.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-5-fluoropyridine-4-carbaldehyde
CID 74891858
9H-fluoren-9-ylmethyl N-[4-(5-fluoro-4-formyl-2-pyridinyl)but-3-ynyl]carbamate
CID 170460830
4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
CID 124707662
2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde
CID 171862138
5-fluoro-4-formylpyridine-2-sulfonyl chloride
CID 162341912
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
CID 169484844
3-fluoro-5-(3-hydroxyprop-1-ynyl)benzaldehyde
CID 169484936
2-(2,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133091145
4-(3-hydroxyprop-1-ynyl)-2-methylbenzaldehyde
CID 169484946
3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
CID 169485143
2-fluoro-5-(5-hydroxypent-1-ynyl)benzaldehyde
CID 122241679

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde (CID 169485084) is 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde is O=Cc1cc(C#CCO)ncc1F.
What is the InChIKey of 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde?
The InChIKey is LGGNWKOXRBTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-9-5-11-8(2-1-3-12)4-7(9)6-13/h4-6,12H,3H2.
What are the key properties of 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde?
5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde has a molecular weight of 179.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 169485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).