4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol

C9H9BrFNO2 — CID 84806896

IUPAC4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
SMILESNC1(c2cc(F)c(O)c(Br)c2O)CC1
InChIInChI=1S/C9H9BrFNO2/c10-6-7(13)4(9(12)1-2-9)3-5(11)8(6)14/h3,13-14H,1-2,12H2
InChIKeyHTKYURCTTKWDSW-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.95
Rot. Bonds1

About 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol

4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol (PubChem CID 84806896) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
PubChem CID84806896
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
SMILESNC1(c2cc(F)c(O)c(Br)c2O)CC1
InChIInChI=1S/C9H9BrFNO2/c10-6-7(13)4(9(12)1-2-9)3-5(11)8(6)14/h3,13-14H,1-2,12H2
InChIKeyHTKYURCTTKWDSW-UHFFFAOYSA-N
XLogP1.95
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol (CID 84806896) is 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol is NC1(c2cc(F)c(O)c(Br)c2O)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol?
The InChIKey is HTKYURCTTKWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c10-6-7(13)4(9(12)1-2-9)3-5(11)8(6)14/h3,13-14H,1-2,12H2.
What are the key properties of 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol?
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol has a molecular weight of 262.08 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 84806896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).