2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H12FN3O2 — CID 102411373

IUPAC2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(F)cc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12FN3O2/c16-10-5-6-14(19(20)21)11(9-10)15(12-3-1-7-17-12)13-4-2-8-18-13/h1-9,15,17-18H
InChIKeyOYKUMQZORIKVBZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.57
Rot. Bonds4

About 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 102411373) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID102411373
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(F)cc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12FN3O2/c16-10-5-6-14(19(20)21)11(9-10)15(12-3-1-7-17-12)13-4-2-8-18-13/h1-9,15,17-18H
InChIKeyOYKUMQZORIKVBZ-UHFFFAOYSA-N
XLogP3.57
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
(1S)-2,2-difluoro-1-(5-fluoro-2-nitrophenyl)ethanamine;hydrochloride
CID 171248349
(1R)-1-(5-fluoro-2-nitrophenyl)prop-2-en-1-amine;hydrochloride
CID 171206003
(S)-cyclobutyl-(5-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225599
(1S)-2,2,2-trifluoro-1-(5-fluoro-2-nitrophenyl)ethanamine
CID 66510268
2-[(2-chloro-6-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371941
4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328916
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473
3-(5-fluoro-2-nitrophenyl)-N-methylbutan-2-amine
CID 63199938
(S)-(5-fluoro-2-nitrophenyl)-(oxan-4-yl)methanamine
CID 171241629
(S)-(5-fluoro-2-nitrophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171206029
(1R)-3,3-difluoro-1-(5-fluoro-2-nitrophenyl)propan-1-amine;hydrochloride
CID 171313687

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 102411373) is 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is O=[N+]([O-])c1ccc(F)cc1C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is OYKUMQZORIKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-5-6-14(19(20)21)11(9-10)15(12-3-1-7-17-12)13-4-2-8-18-13/h1-9,15,17-18H.
What are the key properties of 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 285.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-nitrophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 102411373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).