methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate

C12H10FNO2 — CID 123133682

IUPACmethyl 2-(2-fluorophenyl)pyrrole-1-carboxylate
SMILESCOC(=O)n1cccc1-c1ccccc1F
InChIInChI=1S/C12H10FNO2/c1-16-12(15)14-8-4-7-11(14)9-5-2-3-6-10(9)13/h2-8H,1H3
InChIKeyRSOSOLVAJYTWIS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.91
Rot. Bonds1

About methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate

methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate (PubChem CID 123133682) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)pyrrole-1-carboxylate
PubChem CID123133682
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Namemethyl 2-(2-fluorophenyl)pyrrole-1-carboxylate
SMILESCOC(=O)n1cccc1-c1ccccc1F
InChIInChI=1S/C12H10FNO2/c1-16-12(15)14-8-4-7-11(14)9-5-2-3-6-10(9)13/h2-8H,1H3
InChIKeyRSOSOLVAJYTWIS-UHFFFAOYSA-N
XLogP2.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxycarbonylpyrrole-2-carboxylic acid
CID 141431504
2-(2-fluorophenyl)-N,N-dimethylpyrrol-1-amine
CID 171060700
methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
CID 171483297
tert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrole-1-carboxylate
CID 56839230
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
methyl 2,6-bis(1-fluoropyrrol-2-yl)benzoate
CID 175571841
methyl 3-(cyanomethyl)-4-fluoroindole-1-carboxylate
CID 13499083
methyl 2-[2-(2-fluorophenyl)imidazol-1-yl]propanoate
CID 82561191
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250743
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
dimethyl 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
CID 67225475
tert-butyl 2-[4-[5-(2-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-1-yl]phenyl]pyrrole-1-carboxylate
CID 69361303

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate (CID 123133682) is methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate is COC(=O)n1cccc1-c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate?
The InChIKey is RSOSOLVAJYTWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-16-12(15)14-8-4-7-11(14)9-5-2-3-6-10(9)13/h2-8H,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate?
methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate is sourced from PubChem (CID 123133682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).