(4-amino-3-bromo-5-fluorophenyl)methanol

C7H7BrFNO — CID 71721412

IUPAC(4-amino-3-bromo-5-fluorophenyl)methanol
SMILESNc1c(F)cc(CO)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3,10H2
InChIKeyBCVRUJZAKGWSGN-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.66
Rot. Bonds1

About (4-amino-3-bromo-5-fluorophenyl)methanol

(4-amino-3-bromo-5-fluorophenyl)methanol (PubChem CID 71721412) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is (4-amino-3-bromo-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-bromo-5-fluorophenyl)methanol
PubChem CID71721412
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name(4-amino-3-bromo-5-fluorophenyl)methanol
SMILESNc1c(F)cc(CO)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3,10H2
InChIKeyBCVRUJZAKGWSGN-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-amino-3-bromo-5-methylphenyl)methanol
CID 134128919
2-bromo-6-fluoro-4-(hydroxymethyl)benzenesulfinate
CID 174442544
[4-(bromomethyl)-3-fluorophenyl]methanol
CID 72712924
4-amino-3-bromo-5-fluorobenzoic acid;hydrochloride
CID 70622894
4-bromo-2-(bromomethyl)-6-fluoroaniline
CID 130119110
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
(3-amino-5-bromo-4-methoxyphenyl)methanol
CID 117100520
(4-amino-3,5-difluorophenyl)methoxymethanol
CID 134461789
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
4-amino-3-bromo-5-fluorobenzonitrile
CID 28820660
(6-amino-5-bromo-3-pyridinyl)methanol
CID 67263286
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromo-5-fluorophenyl)methanol?
The IUPAC name of (4-amino-3-bromo-5-fluorophenyl)methanol (CID 71721412) is (4-amino-3-bromo-5-fluorophenyl)methanol.
What is the SMILES notation for (4-amino-3-bromo-5-fluorophenyl)methanol?
The canonical SMILES for (4-amino-3-bromo-5-fluorophenyl)methanol is Nc1c(F)cc(CO)cc1Br.
What is the InChIKey of (4-amino-3-bromo-5-fluorophenyl)methanol?
The InChIKey is BCVRUJZAKGWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3,10H2.
What are the key properties of (4-amino-3-bromo-5-fluorophenyl)methanol?
(4-amino-3-bromo-5-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 (4-amino-3-bromo-5-fluorophenyl)methanol is sourced from PubChem (CID 71721412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).