methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate

C7H8FNO2 — CID 176600119

IUPACmethyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(F)c(C)[nH]1
InChIInChI=1S/C7H8FNO2/c1-4-5(8)3-6(9-4)7(10)11-2/h3,9H,1-2H3
InChIKeyJMJMVMCWJBDMLV-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.25
Rot. Bonds1

About methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate

methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate (PubChem CID 176600119) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
PubChem CID176600119
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Namemethyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(F)c(C)[nH]1
InChIInChI=1S/C7H8FNO2/c1-4-5(8)3-6(9-4)7(10)11-2/h3,9H,1-2H3
InChIKeyJMJMVMCWJBDMLV-UHFFFAOYSA-N
XLogP1.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
CID 10797537
methyl 5-fluoro-7-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517681
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
CID 6957297
methyl 7-ethenyl-4,6-difluoro-1H-indole-2-carboxylate
CID 169189296
methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate (CID 176600119) is methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1cc(F)c(C)[nH]1.
What is the InChIKey of methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is JMJMVMCWJBDMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-4-5(8)3-6(9-4)7(10)11-2/h3,9H,1-2H3.
What are the key properties of methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate?
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 157.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 176600119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).