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

C12H9FN2 — CID 91613846

IUPAC1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile
SMILESCc1cn(-c2ccccc2F)cc1C#N
InChIInChI=1S/C12H9FN2/c1-9-7-15(8-10(9)6-14)12-5-3-2-4-11(12)13/h2-5,7-8H,1H3
InChIKeyGYTNGHGCYCTKJA-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.80
Rot. Bonds1

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

1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile (PubChem CID 91613846) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile
PubChem CID91613846
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile
SMILESCc1cn(-c2ccccc2F)cc1C#N
InChIInChI=1S/C12H9FN2/c1-9-7-15(8-10(9)6-14)12-5-3-2-4-11(12)13/h2-5,7-8H,1H3
InChIKeyGYTNGHGCYCTKJA-UHFFFAOYSA-N
XLogP2.80
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile (CID 91613846) is 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile is Cc1cn(-c2ccccc2F)cc1C#N.
What is the InChIKey of 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile?
The InChIKey is GYTNGHGCYCTKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c1-9-7-15(8-10(9)6-14)12-5-3-2-4-11(12)13/h2-5,7-8H,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile?
1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile has a molecular weight of 200.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 91613846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).