propan-2-yl 2,5-difluoropyridine-3-carboxylate

C9H9F2NO2 — CID 133059569

IUPACpropan-2-yl 2,5-difluoropyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(F)cnc1F
InChIInChI=1S/C9H9F2NO2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3
InChIKeyQUSQWEPWCZFTLV-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.92
Rot. Bonds2

About propan-2-yl 2,5-difluoropyridine-3-carboxylate

propan-2-yl 2,5-difluoropyridine-3-carboxylate (PubChem CID 133059569) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is propan-2-yl 2,5-difluoropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,5-difluoropyridine-3-carboxylate
PubChem CID133059569
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namepropan-2-yl 2,5-difluoropyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(F)cnc1F
InChIInChI=1S/C9H9F2NO2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3
InChIKeyQUSQWEPWCZFTLV-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
propan-2-yl 2,5-dichloropyridine-3-carboxylate
CID 133060065
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
propan-2-yl 2-chloro-5-fluoro-3-(trifluoromethyl)benzoate
CID 146035158
propan-2-yl 4-chloro-6-methylpyridine-3-carboxylate
CID 68730324
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
propan-2-yl 5-amino-2-iodopyridine-3-carboxylate
CID 133055734
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,5-difluoropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2,5-difluoropyridine-3-carboxylate (CID 133059569) is propan-2-yl 2,5-difluoropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2,5-difluoropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2,5-difluoropyridine-3-carboxylate is CC(C)OC(=O)c1cc(F)cnc1F.
What is the InChIKey of propan-2-yl 2,5-difluoropyridine-3-carboxylate?
The InChIKey is QUSQWEPWCZFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3.
What are the key properties of propan-2-yl 2,5-difluoropyridine-3-carboxylate?
propan-2-yl 2,5-difluoropyridine-3-carboxylate has a molecular weight of 201.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,5-difluoropyridine-3-carboxylate is sourced from PubChem (CID 133059569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).