1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile

C13H11FN2 — CID 114652501

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCc1cc(F)ccc1Cn1cccc1C#N
InChIInChI=1S/C13H11FN2/c1-10-7-12(14)5-4-11(10)9-16-6-2-3-13(16)8-15/h2-7H,9H2,1H3
InChIKeyFMMGQQYTHPDXTM-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.86
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile

1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile (PubChem CID 114652501) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
PubChem CID114652501
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCc1cc(F)ccc1Cn1cccc1C#N
InChIInChI=1S/C13H11FN2/c1-10-7-12(14)5-4-11(10)9-16-6-2-3-13(16)8-15/h2-7H,9H2,1H3
InChIKeyFMMGQQYTHPDXTM-UHFFFAOYSA-N
XLogP2.86
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 114346651
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
1-[(3-amino-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114650238
1-[(3-bromo-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114653143
1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]pyrrole-2-carbonitrile
CID 114650329
1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
CID 114349214
4-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 71120428
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
CID 84650304
1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072773
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480892
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile (CID 114652501) is 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile is Cc1cc(F)ccc1Cn1cccc1C#N.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The InChIKey is FMMGQQYTHPDXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c1-10-7-12(14)5-4-11(10)9-16-6-2-3-13(16)8-15/h2-7H,9H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile?
1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile has a molecular weight of 214.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).