2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine

C16H15FN2 — CID 175324574

IUPAC2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine
SMILESFc1ccccc1Cc1ccc[nH]1.c1ccncc1
InChIInChI=1S/C11H10FN.C5H5N/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;1-2-4-6-5-3-1/h1-7,13H,8H2;1-5H
InChIKeyROEQPADQPLORHF-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.83
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine

2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine (PubChem CID 175324574) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine
PubChem CID175324574
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine
SMILESFc1ccccc1Cc1ccc[nH]1.c1ccncc1
InChIInChI=1S/C11H10FN.C5H5N/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;1-2-4-6-5-3-1/h1-7,13H,8H2;1-5H
InChIKeyROEQPADQPLORHF-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
pyridine;2-(trichloromethyl)-1H-pyrrole
CID 174822327
2-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine
CID 63268921
2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62339580
2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
CID 62748248
4-[2-[(2-fluorophenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69140701
N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690817
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014
1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339075

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine (CID 175324574) is 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine is Fc1ccccc1Cc1ccc[nH]1.c1ccncc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine?
The InChIKey is ROEQPADQPLORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.C5H5N/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;1-2-4-6-5-3-1/h1-7,13H,8H2;1-5H.
What are the key properties of 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine?
2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine has a molecular weight of 254.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine is sourced from PubChem (CID 175324574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).