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

C16H15BrN2 — CID 171371977

IUPAC2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCc1ccc(Br)c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C16H15BrN2/c1-11-6-7-13(17)12(10-11)16(14-4-2-8-18-14)15-5-3-9-19-15/h2-10,16,18-19H,1H3
InChIKeyXBKMAPBCRMQNOX-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.59
Rot. Bonds3

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

2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371977) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371977
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCc1ccc(Br)c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C16H15BrN2/c1-11-6-7-13(17)12(10-11)16(14-4-2-8-18-14)15-5-3-9-19-15/h2-10,16,18-19H,1H3
InChIKeyXBKMAPBCRMQNOX-UHFFFAOYSA-N
XLogP4.59
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(2-bromo-4-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371776
2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371778
2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371892
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371822
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
1-(2-bromo-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171863103
2-[(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371823
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371938
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371977) is 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Cc1ccc(Br)c(C(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is XBKMAPBCRMQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11-6-7-13(17)12(10-11)16(14-4-2-8-18-14)15-5-3-9-19-15/h2-10,16,18-19H,1H3.
What are the key properties of 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 315.21 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).