methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate

C16H13ClFNO3 — CID 58134377

IUPACmethyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cc(Cl)cc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H13ClFNO3/c1-21-15(20)16(6-7-16)22-14-9-11(17)8-13(19-14)10-2-4-12(18)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyKYNKKQWBXMPAGX-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.63
Rot. Bonds4

About methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate

methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate (PubChem CID 58134377) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate
PubChem CID58134377
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Namemethyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cc(Cl)cc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H13ClFNO3/c1-21-15(20)16(6-7-16)22-14-9-11(17)8-13(19-14)10-2-4-12(18)5-3-10/h2-5,8-9H,6-7H2,1H3
InChIKeyKYNKKQWBXMPAGX-UHFFFAOYSA-N
XLogP3.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate (CID 58134377) is methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate is COC(=O)C1(Oc2cc(Cl)cc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate?
The InChIKey is KYNKKQWBXMPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-21-15(20)16(6-7-16)22-14-9-11(17)8-13(19-14)10-2-4-12(18)5-3-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate?
methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate has a molecular weight of 321.74 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 58134377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).