fluoro 4-amino-3-hydroxybenzoate

C7H6FNO3 — CID 144796447

IUPACfluoro 4-amino-3-hydroxybenzoate
SMILESNc1ccc(C(=O)OF)cc1O
InChIInChI=1S/C7H6FNO3/c8-12-7(11)4-1-2-5(9)6(10)3-4/h1-3,10H,9H2
InChIKeyBUBGQQBJCDJZSY-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.02
Rot. Bonds1

About fluoro 4-amino-3-hydroxybenzoate

fluoro 4-amino-3-hydroxybenzoate (PubChem CID 144796447) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is fluoro 4-amino-3-hydroxybenzoate.

Molecular Properties

Compound Namefluoro 4-amino-3-hydroxybenzoate
PubChem CID144796447
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Namefluoro 4-amino-3-hydroxybenzoate
SMILESNc1ccc(C(=O)OF)cc1O
InChIInChI=1S/C7H6FNO3/c8-12-7(11)4-1-2-5(9)6(10)3-4/h1-3,10H,9H2
InChIKeyBUBGQQBJCDJZSY-UHFFFAOYSA-N
XLogP1.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro 3,4-diaminobenzoate
CID 142205723
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
butyl 4-amino-3-hydroxybenzoate
CID 10727111
3,3-dimethylbutyl 4-amino-3-hydroxybenzoate
CID 66226889
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxybenzoate
CID 114341556
2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol
CID 2832089
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
CID 70365810
fluoro 4-fluorobenzoate
CID 145480473
amino 3,4-dihydroxybenzoate
CID 91429810
fluoro 4-aminosulfanylbenzoate
CID 145294745

Frequently Asked Questions

What is the IUPAC name of fluoro 4-amino-3-hydroxybenzoate?
The IUPAC name of fluoro 4-amino-3-hydroxybenzoate (CID 144796447) is fluoro 4-amino-3-hydroxybenzoate.
What is the SMILES notation for fluoro 4-amino-3-hydroxybenzoate?
The canonical SMILES for fluoro 4-amino-3-hydroxybenzoate is Nc1ccc(C(=O)OF)cc1O.
What is the InChIKey of fluoro 4-amino-3-hydroxybenzoate?
The InChIKey is BUBGQQBJCDJZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-12-7(11)4-1-2-5(9)6(10)3-4/h1-3,10H,9H2.
What are the key properties of fluoro 4-amino-3-hydroxybenzoate?
fluoro 4-amino-3-hydroxybenzoate has a molecular weight of 171.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-amino-3-hydroxybenzoate is sourced from PubChem (CID 144796447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).