(2-amino-4-bromo-3-fluorophenyl)methanol

C7H7BrFNO — CID 150043826

IUPAC(2-amino-4-bromo-3-fluorophenyl)methanol
SMILESNc1c(CO)ccc(Br)c1F
InChIInChI=1S/C7H7BrFNO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2
InChIKeyDJVSRKLGOFXZFG-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.66
Rot. Bonds1

About (2-amino-4-bromo-3-fluorophenyl)methanol

(2-amino-4-bromo-3-fluorophenyl)methanol (PubChem CID 150043826) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is (2-amino-4-bromo-3-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-bromo-3-fluorophenyl)methanol
PubChem CID150043826
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name(2-amino-4-bromo-3-fluorophenyl)methanol
SMILESNc1c(CO)ccc(Br)c1F
InChIInChI=1S/C7H7BrFNO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2
InChIKeyDJVSRKLGOFXZFG-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

(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
(6-amino-3-bromo-2-fluorophenyl)methanol
CID 67080757
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
6-bromo-2-fluoro-3-(hydroxymethyl)benzoic acid
CID 118186597
2-(3-amino-4-bromo-2-fluorophenyl)acetonitrile
CID 131368314
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
CID 164892261
3-bromo-2-fluoro-6-phenylaniline;ethane
CID 156801929
2-amino-4-bromo-3-fluorobenzoic acid;ethane
CID 170732130
3-(aminomethyl)-6-bromo-2-fluorophenol
CID 118845822

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromo-3-fluorophenyl)methanol?
The IUPAC name of (2-amino-4-bromo-3-fluorophenyl)methanol (CID 150043826) is (2-amino-4-bromo-3-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-4-bromo-3-fluorophenyl)methanol?
The canonical SMILES for (2-amino-4-bromo-3-fluorophenyl)methanol is Nc1c(CO)ccc(Br)c1F.
What is the InChIKey of (2-amino-4-bromo-3-fluorophenyl)methanol?
The InChIKey is DJVSRKLGOFXZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3,10H2.
What are the key properties of (2-amino-4-bromo-3-fluorophenyl)methanol?
(2-amino-4-bromo-3-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 (2-amino-4-bromo-3-fluorophenyl)methanol is sourced from PubChem (CID 150043826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).