propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate

C9H11FN2O2 — CID 133057091

IUPACpropan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
SMILESCC(C)OC(=O)c1cc(F)ncc1N
InChIInChI=1S/C9H11FN2O2/c1-5(2)14-9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3
InChIKeyZQQZSGUXGDSSCV-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.37
Rot. Bonds2

About propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate

propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate (PubChem CID 133057091) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
PubChem CID133057091
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Namepropan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
SMILESCC(C)OC(=O)c1cc(F)ncc1N
InChIInChI=1S/C9H11FN2O2/c1-5(2)14-9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3
InChIKeyZQQZSGUXGDSSCV-UHFFFAOYSA-N
XLogP1.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
propan-2-yl 2,5-difluoropyridine-3-carboxylate
CID 133059569
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805
propan-2-yl 5-amino-2-iodopyridine-3-carboxylate
CID 133055734
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
CID 114090919
propan-2-yl 2-amino-5-(2,2-difluoroethoxy)benzoate
CID 79778503
2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one
CID 84660437
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
propan-2-yl 4-amino-2-fluoropyridine-3-carboxylate
CID 133058783
propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
propan-2-yl 3-amino-2,6-difluorobenzoate
CID 79772995

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate?
The IUPAC name of propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate (CID 133057091) is propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate is CC(C)OC(=O)c1cc(F)ncc1N.
What is the InChIKey of propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate?
The InChIKey is ZQQZSGUXGDSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5(2)14-9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3.
What are the key properties of propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate?
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate has a molecular weight of 198.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate is sourced from PubChem (CID 133057091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).