2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde

C9H9ClFNO3 — CID 171862138

IUPAC2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(C(O)C(O)CCl)ncc1F
InChIInChI=1S/C9H9ClFNO3/c10-2-8(14)9(15)7-1-5(4-13)6(11)3-12-7/h1,3-4,8-9,14-15H,2H2
InChIKeyGEFDPYJSDISSTH-UHFFFAOYSA-N
MW233.63 g/mol
LogP0.67
Rot. Bonds4

About 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde

2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde (PubChem CID 171862138) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde
PubChem CID171862138
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(C(O)C(O)CCl)ncc1F
InChIInChI=1S/C9H9ClFNO3/c10-2-8(14)9(15)7-1-5(4-13)6(11)3-12-7/h1,3-4,8-9,14-15H,2H2
InChIKeyGEFDPYJSDISSTH-UHFFFAOYSA-N
XLogP0.67
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830162
2-ethenyl-5-fluoropyridine-4-carbaldehyde
CID 74891858
1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
CID 171861554
5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
CID 169485084
5-fluoro-4-formylpyridine-2-sulfonyl chloride
CID 162341912
4-(3-chloro-1,2-dihydroxypropyl)-2-methylbenzaldehyde
CID 171861974
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
4-(4-amino-1,2-dihydroxybutyl)-2,5-difluorobenzaldehyde
CID 171881608
4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878026
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
5-(3-chloro-1,2-dihydroxypropyl)-2-nitrobenzaldehyde
CID 171862741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde?
The IUPAC name of 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde (CID 171862138) is 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde is O=Cc1cc(C(O)C(O)CCl)ncc1F.
What is the InChIKey of 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde?
The InChIKey is GEFDPYJSDISSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c10-2-8(14)9(15)7-1-5(4-13)6(11)3-12-7/h1,3-4,8-9,14-15H,2H2.
What are the key properties of 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde?
2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde has a molecular weight of 233.63 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1,2-dihydroxypropyl)-5-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 171862138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).