propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate

C9H10BrFN2O2 — CID 141395884

IUPACpropan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1nc(Br)c(F)cc1N
InChIInChI=1S/C9H10BrFN2O2/c1-4(2)15-9(14)7-6(12)3-5(11)8(10)13-7/h3-4H,12H2,1-2H3
InChIKeyGLLUCBGKDMNYGF-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.13
Rot. Bonds2

About propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate

propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate (PubChem CID 141395884) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
PubChem CID141395884
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Namepropan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
SMILESCC(C)OC(=O)c1nc(Br)c(F)cc1N
InChIInChI=1S/C9H10BrFN2O2/c1-4(2)15-9(14)7-6(12)3-5(11)8(10)13-7/h3-4H,12H2,1-2H3
InChIKeyGLLUCBGKDMNYGF-UHFFFAOYSA-N
XLogP2.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.13
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

3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 159313414
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
propan-2-yl 4-amino-3,6-dichloropyridine-2-carboxylate
CID 142076144
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
propan-2-yl 3-amino-2,6-difluorobenzoate
CID 79772995
propan-2-yl 2-amino-5-bromo-3-fluoro-4-methylbenzoate
CID 107367808
propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
CID 133062597
propan-2-yl 2-amino-3,6-difluorobenzoate
CID 60836795
propan-2-yl 4-amino-2-fluoropyridine-3-carboxylate
CID 133058783
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626
propan-2-yl 6-amino-4-chloro-2,3-difluorobenzoate
CID 171089004

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate (CID 141395884) is propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate is CC(C)OC(=O)c1nc(Br)c(F)cc1N.
What is the InChIKey of propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The InChIKey is GLLUCBGKDMNYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c1-4(2)15-9(14)7-6(12)3-5(11)8(10)13-7/h3-4H,12H2,1-2H3.
What are the key properties of propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate has a molecular weight of 277.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 141395884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).