tert-butyl 2-amino-4-iodopyridine-3-carboxylate

C10H13IN2O2 — CID 154073429

IUPACtert-butyl 2-amino-4-iodopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(I)ccnc1N
InChIInChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)7-6(11)4-5-13-8(7)12/h4-5H,1-3H3,(H2,12,13)
InChIKeyRYAGRRZCZPRNFH-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.22
Rot. Bonds1

About tert-butyl 2-amino-4-iodopyridine-3-carboxylate

tert-butyl 2-amino-4-iodopyridine-3-carboxylate (PubChem CID 154073429) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is tert-butyl 2-amino-4-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-iodopyridine-3-carboxylate
PubChem CID154073429
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Nametert-butyl 2-amino-4-iodopyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(I)ccnc1N
InChIInChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)7-6(11)4-5-13-8(7)12/h4-5H,1-3H3,(H2,12,13)
InChIKeyRYAGRRZCZPRNFH-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
tert-butyl 4-amino-2-fluoropyridine-3-carboxylate
CID 133062943
tert-butyl 4-iodopyrimidine-2-carboxylate
CID 133058784
tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
CID 174830370
ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
CID 67159419
tert-butyl 3-fluoro-6-iodo-2-methylbenzoate
CID 170756952
tert-butyl 5-amino-3-iodopyridine-2-carboxylate
CID 133060051
tert-butyl 2-iodonaphthalene-1-carboxylate
CID 70878539
tert-butyl 2-bromo-4-chloropyridine-3-carboxylate
CID 166524653
[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid
CID 175662927
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-iodopyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-iodopyridine-3-carboxylate (CID 154073429) is tert-butyl 2-amino-4-iodopyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-iodopyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-iodopyridine-3-carboxylate is CC(C)(C)OC(=O)c1c(I)ccnc1N.
What is the InChIKey of tert-butyl 2-amino-4-iodopyridine-3-carboxylate?
The InChIKey is RYAGRRZCZPRNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)7-6(11)4-5-13-8(7)12/h4-5H,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 2-amino-4-iodopyridine-3-carboxylate?
tert-butyl 2-amino-4-iodopyridine-3-carboxylate has a molecular weight of 320.13 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-iodopyridine-3-carboxylate is sourced from PubChem (CID 154073429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).