ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate

C11H13IN2O2 — CID 134605040

IUPACethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NI)nc2)CC1
InChIInChI=1S/C11H13IN2O2/c1-2-16-10(15)11(5-6-11)8-3-4-9(14-12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyHRCZXMVTJWBWKT-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.44
Rot. Bonds4

About ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate

ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 134605040) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
PubChem CID134605040
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Nameethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NI)nc2)CC1
InChIInChI=1S/C11H13IN2O2/c1-2-16-10(15)11(5-6-11)8-3-4-9(14-12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyHRCZXMVTJWBWKT-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate
CID 66661814
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 1-[6-[4-(2,2-dimethylpropanoyloxy)piperazin-1-yl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 174520511
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 162342784
ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate
CID 156502327

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate (CID 134605040) is ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(NI)nc2)CC1.
What is the InChIKey of ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate?
The InChIKey is HRCZXMVTJWBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c1-2-16-10(15)11(5-6-11)8-3-4-9(14-12)13-7-8/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate?
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 332.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 134605040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).