2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H11BrF2N2 — CID 171371892

IUPAC2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1cc(Br)cc(C(c2ccc[nH]2)c2ccc[nH]2)c1F
InChIInChI=1S/C15H11BrF2N2/c16-9-7-10(15(18)11(17)8-9)14(12-3-1-5-19-12)13-4-2-6-20-13/h1-8,14,19-20H
InChIKeyLNRRRVCMRFSQSK-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.56
Rot. Bonds3

About 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371892) has the molecular formula C15H11BrF2N2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371892
Molecular FormulaC15H11BrF2N2
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1cc(Br)cc(C(c2ccc[nH]2)c2ccc[nH]2)c1F
InChIInChI=1S/C15H11BrF2N2/c16-9-7-10(15(18)11(17)8-9)14(12-3-1-5-19-12)13-4-2-6-20-13/h1-8,14,19-20H
InChIKeyLNRRRVCMRFSQSK-UHFFFAOYSA-N
XLogP4.56
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371714
2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371778
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
2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371822
3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
CID 171371811
2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 10807638
2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 102416621
5-bromo-7-fluoro-1H-indole
CID 3534880
(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol
CID 114560493
2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
CID 84807691
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371892) is 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Fc1cc(Br)cc(C(c2ccc[nH]2)c2ccc[nH]2)c1F.
What is the InChIKey of 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is LNRRRVCMRFSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2/c16-9-7-10(15(18)11(17)8-9)14(12-3-1-5-19-12)13-4-2-6-20-13/h1-8,14,19-20H.
What are the key properties of 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 337.17 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).