2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H12BrFN2 — CID 171371714

IUPAC2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1ccc(Br)cc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12BrFN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H
InChIKeyVCSZSCIAPCMRRU-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.42
Rot. Bonds3

About 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371714) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371714
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1ccc(Br)cc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12BrFN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H
InChIKeyVCSZSCIAPCMRRU-UHFFFAOYSA-N
XLogP4.42
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371892
2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371778
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2-[(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371823
2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371977
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
3-(5-bromo-2-fluorophenyl)butane-1-thiol
CID 83933838

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371714) is 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Fc1ccc(Br)cc1C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is VCSZSCIAPCMRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 319.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).