propan-2-yl 5-amino-2-iodopyridine-3-carboxylate

C9H11IN2O2 — CID 133055734

IUPACpropan-2-yl 5-amino-2-iodopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(N)cnc1I
InChIInChI=1S/C9H11IN2O2/c1-5(2)14-9(13)7-3-6(11)4-12-8(7)10/h3-5H,11H2,1-2H3
InChIKeyFILSDQSHKWDTIM-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.83
Rot. Bonds2

About propan-2-yl 5-amino-2-iodopyridine-3-carboxylate

propan-2-yl 5-amino-2-iodopyridine-3-carboxylate (PubChem CID 133055734) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is propan-2-yl 5-amino-2-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-amino-2-iodopyridine-3-carboxylate
PubChem CID133055734
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Namepropan-2-yl 5-amino-2-iodopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(N)cnc1I
InChIInChI=1S/C9H11IN2O2/c1-5(2)14-9(13)7-3-6(11)4-12-8(7)10/h3-5H,11H2,1-2H3
InChIKeyFILSDQSHKWDTIM-UHFFFAOYSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-iodopyridine-3-carboxamide
CID 133056931
(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
CID 61321689
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
propan-2-yl 5-amino-1-methylpyrazole-4-carboxylate
CID 52911784
propan-2-yl 2,5-dichloropyridine-3-carboxylate
CID 133060065
propan-2-yl 2,5-difluoropyridine-3-carboxylate
CID 133059569
propan-2-yl 4-chloro-6-methylpyridine-3-carboxylate
CID 68730324
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-amino-2-iodopyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-amino-2-iodopyridine-3-carboxylate (CID 133055734) is propan-2-yl 5-amino-2-iodopyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-amino-2-iodopyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-amino-2-iodopyridine-3-carboxylate is CC(C)OC(=O)c1cc(N)cnc1I.
What is the InChIKey of propan-2-yl 5-amino-2-iodopyridine-3-carboxylate?
The InChIKey is FILSDQSHKWDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-5(2)14-9(13)7-3-6(11)4-12-8(7)10/h3-5H,11H2,1-2H3.
What are the key properties of propan-2-yl 5-amino-2-iodopyridine-3-carboxylate?
propan-2-yl 5-amino-2-iodopyridine-3-carboxylate has a molecular weight of 306.10 g/mol, XLogP of 1.83, 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-iodopyridine-3-carboxylate is sourced from PubChem (CID 133055734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).