5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol

C9H9BrFNO — CID 84803020

IUPAC5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
SMILESNC1(c2cc(O)c(F)c(Br)c2)CC1
InChIInChI=1S/C9H9BrFNO/c10-6-3-5(9(12)1-2-9)4-7(13)8(6)11/h3-4,13H,1-2,12H2
InChIKeyPZVAIZYZBVYIAC-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.24
Rot. Bonds1

About 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol

5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol (PubChem CID 84803020) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
PubChem CID84803020
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
SMILESNC1(c2cc(O)c(F)c(Br)c2)CC1
InChIInChI=1S/C9H9BrFNO/c10-6-3-5(9(12)1-2-9)4-7(13)8(6)11/h3-4,13H,1-2,12H2
InChIKeyPZVAIZYZBVYIAC-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
CID 84815573
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
CID 50944250
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 117489455
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
3-bromo-4-fluoro-5-hydroxybenzaldehyde
CID 84786434
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol?
The IUPAC name of 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol (CID 84803020) is 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol.
What is the SMILES notation for 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol?
The canonical SMILES for 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol is NC1(c2cc(O)c(F)c(Br)c2)CC1.
What is the InChIKey of 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol?
The InChIKey is PZVAIZYZBVYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-6-3-5(9(12)1-2-9)4-7(13)8(6)11/h3-4,13H,1-2,12H2.
What are the key properties of 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol?
5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol has a molecular weight of 246.08 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol is sourced from PubChem (CID 84803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).