propan-2-yl 6-fluoropyridine-2-carboxylate

C9H10FNO2 — CID 57438917

IUPACpropan-2-yl 6-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(F)n1
InChIInChI=1S/C9H10FNO2/c1-6(2)13-9(12)7-4-3-5-8(10)11-7/h3-6H,1-2H3
InChIKeyQDQZNQGEYULIKI-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.79
Rot. Bonds2

About propan-2-yl 6-fluoropyridine-2-carboxylate

propan-2-yl 6-fluoropyridine-2-carboxylate (PubChem CID 57438917) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is propan-2-yl 6-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-fluoropyridine-2-carboxylate
PubChem CID57438917
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namepropan-2-yl 6-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(F)n1
InChIInChI=1S/C9H10FNO2/c1-6(2)13-9(12)7-4-3-5-8(10)11-7/h3-6H,1-2H3
InChIKeyQDQZNQGEYULIKI-UHFFFAOYSA-N
XLogP1.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-fluoropyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-fluoropyridine-2-carboxylate (CID 57438917) is propan-2-yl 6-fluoropyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-fluoropyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-fluoropyridine-2-carboxylate is CC(C)OC(=O)c1cccc(F)n1.
What is the InChIKey of propan-2-yl 6-fluoropyridine-2-carboxylate?
The InChIKey is QDQZNQGEYULIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(2)13-9(12)7-4-3-5-8(10)11-7/h3-6H,1-2H3.
What are the key properties of propan-2-yl 6-fluoropyridine-2-carboxylate?
propan-2-yl 6-fluoropyridine-2-carboxylate has a molecular weight of 183.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-fluoropyridine-2-carboxylate is sourced from PubChem (CID 57438917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).