(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C15H14BrFN2O2 — CID 61316831

IUPAC(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2cc(Br)ccc2F)n(C2CC2)c1
InChIInChI=1S/C15H14BrFN2O2/c16-10-1-4-13(17)9(5-10)8-21-15(20)14-6-11(18)7-19(14)12-2-3-12/h1,4-7,12H,2-3,8,18H2
InChIKeyCOSQIBUFFCBFHR-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.66
Rot. Bonds4

About (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 61316831) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID61316831
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESNc1cc(C(=O)OCc2cc(Br)ccc2F)n(C2CC2)c1
InChIInChI=1S/C15H14BrFN2O2/c16-10-1-4-13(17)9(5-10)8-21-15(20)14-6-11(18)7-19(14)12-2-3-12/h1,4-7,12H,2-3,8,18H2
InChIKeyCOSQIBUFFCBFHR-UHFFFAOYSA-N
XLogP3.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
(3-bromo-5-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 79700754
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(4-bromo-2-fluorophenyl)methyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315867
(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
CID 61321831
(5-chlorothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314370
(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62895487
(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 82876097
4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 61471948
(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104784155
(5-bromo-2-fluorophenyl)methyl 3-amino-5-methoxybenzoate
CID 81094852

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 61316831) is (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Nc1cc(C(=O)OCc2cc(Br)ccc2F)n(C2CC2)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is COSQIBUFFCBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-10-1-4-13(17)9(5-10)8-21-15(20)14-6-11(18)7-19(14)12-2-3-12/h1,4-7,12H,2-3,8,18H2.
What are the key properties of (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 353.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 61316831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).