methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate

C11H11ClN2O3 — CID 117062757

IUPACmethyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H11ClN2O3/c1-17-10(16)11(4-5-11)14-9(15)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeySOEWZOPPPREUED-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate

methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate (PubChem CID 117062757) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
PubChem CID117062757
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Namemethyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H11ClN2O3/c1-17-10(16)11(4-5-11)14-9(15)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeySOEWZOPPPREUED-UHFFFAOYSA-N
XLogP1.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate (CID 117062757) is methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The InChIKey is SOEWZOPPPREUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-10(16)11(4-5-11)14-9(15)7-2-3-8(12)13-6-7/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate has a molecular weight of 254.67 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 117062757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).