2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol

C11H13BrFNO — CID 117437562

IUPAC2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2ccc(O)c(Br)c2F)CCCN1
InChIInChI=1S/C11H13BrFNO/c1-11(5-2-6-14-11)7-3-4-8(15)9(12)10(7)13/h3-4,14-15H,2,5-6H2,1H3
InChIKeyHPCUJGKCZVZQKI-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.89
Rot. Bonds1

About 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol

2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117437562) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117437562
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2ccc(O)c(Br)c2F)CCCN1
InChIInChI=1S/C11H13BrFNO/c1-11(5-2-6-14-11)7-3-4-8(15)9(12)10(7)13/h3-4,14-15H,2,5-6H2,1H3
InChIKeyHPCUJGKCZVZQKI-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
CID 117298982
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
CID 117364454
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol (CID 117437562) is 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol is CC1(c2ccc(O)c(Br)c2F)CCCN1.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is HPCUJGKCZVZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(5-2-6-14-11)7-3-4-8(15)9(12)10(7)13/h3-4,14-15H,2,5-6H2,1H3.
What are the key properties of 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol?
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 274.13 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117437562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).