5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile

C12H10FN3 — CID 15604500

IUPAC5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(N)c(F)c1
InChIInChI=1S/C12H10FN3/c1-16-9(7-14)3-5-12(16)8-2-4-11(15)10(13)6-8/h2-6H,15H2,1H3
InChIKeyOGFHZLPBRQKMLY-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.29
Rot. Bonds1

About 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile

5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile (PubChem CID 15604500) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
PubChem CID15604500
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(N)c(F)c1
InChIInChI=1S/C12H10FN3/c1-16-9(7-14)3-5-12(16)8-2-4-11(15)10(13)6-8/h2-6H,15H2,1H3
InChIKeyOGFHZLPBRQKMLY-UHFFFAOYSA-N
XLogP2.29
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-amino-3-cyanophenyl)-1-methylpyrrole-2-carbonitrile
CID 69114652
5-(2,6-difluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 90718539
N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
CID 155809311
4-amino-3-fluorobenzonitrile;methane
CID 174516091
5-(1-hydroxy-3-methyl-2,3-dihydro-1H-inden-5-yl)-1-methylpyrrole-2-carbonitrile
CID 45375985
5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile
CID 25003909
2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide
CID 91298814
5-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 155812405
2-[4-(5-cyano-1-methylpyrrol-2-yl)-2,5-difluorophenyl]ethanesulfonamide
CID 90902441
5-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 155806143
5-[4-(C-tert-butyl-N-hydroxycarbonimidoyl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 75254568
4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
CID 63974391

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile (CID 15604500) is 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile is Cn1c(C#N)ccc1-c1ccc(N)c(F)c1.
What is the InChIKey of 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile?
The InChIKey is OGFHZLPBRQKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-16-9(7-14)3-5-12(16)8-2-4-11(15)10(13)6-8/h2-6H,15H2,1H3.
What are the key properties of 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile?
5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile has a molecular weight of 215.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 15604500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).