4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline

C11H10BrFN2 — CID 62327179

IUPAC4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1ccc[nH]1
InChIInChI=1S/C11H10BrFN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2
InChIKeyAZQNUJLIVDAZGF-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline

4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62327179) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62327179
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1ccc[nH]1
InChIInChI=1S/C11H10BrFN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2
InChIKeyAZQNUJLIVDAZGF-UHFFFAOYSA-N
XLogP3.53
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 81262185
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
4-bromo-N-[(3,4-dibromophenyl)methyl]-2-fluoroaniline
CID 113483233
4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328916
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
3-fluoro-4-methyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327524
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63203814
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
4-[(4-bromo-2-fluoroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037497
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62327179) is 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline is Fc1cc(Br)ccc1NCc1ccc[nH]1.
What is the InChIKey of 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is AZQNUJLIVDAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2.
What are the key properties of 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline?
4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 269.12 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62327179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).