(6-amino-3-bromo-2-fluorophenyl)methanol

C7H7BrFNO — CID 67080757

IUPAC(6-amino-3-bromo-2-fluorophenyl)methanol
SMILESNc1ccc(Br)c(F)c1CO
InChIInChI=1S/C7H7BrFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3,10H2
InChIKeyFTGNJLGMELWIIK-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.66
Rot. Bonds1

About (6-amino-3-bromo-2-fluorophenyl)methanol

(6-amino-3-bromo-2-fluorophenyl)methanol (PubChem CID 67080757) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is (6-amino-3-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-amino-3-bromo-2-fluorophenyl)methanol
PubChem CID67080757
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name(6-amino-3-bromo-2-fluorophenyl)methanol
SMILESNc1ccc(Br)c(F)c1CO
InChIInChI=1S/C7H7BrFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3,10H2
InChIKeyFTGNJLGMELWIIK-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
4-bromo-2-(difluoromethyl)-3-fluoroaniline
CID 175669840
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
(4-amino-2-bromo-3-pyridinyl)methanol
CID 130730891
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
CID 106272227
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-bromo-2-fluorophenyl)methanol?
The IUPAC name of (6-amino-3-bromo-2-fluorophenyl)methanol (CID 67080757) is (6-amino-3-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for (6-amino-3-bromo-2-fluorophenyl)methanol?
The canonical SMILES for (6-amino-3-bromo-2-fluorophenyl)methanol is Nc1ccc(Br)c(F)c1CO.
What is the InChIKey of (6-amino-3-bromo-2-fluorophenyl)methanol?
The InChIKey is FTGNJLGMELWIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3,10H2.
What are the key properties of (6-amino-3-bromo-2-fluorophenyl)methanol?
(6-amino-3-bromo-2-fluorophenyl)methanol has a molecular weight of 220.04 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 67080757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).