3-amino-5-hydroxybenzoic acid;fluoromethane

C8H10FNO3 — CID 143667983

IUPAC3-amino-5-hydroxybenzoic acid;fluoromethane
SMILESCF.Nc1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C7H7NO3.CH3F/c8-5-1-4(7(10)11)2-6(9)3-5;1-2/h1-3,9H,8H2,(H,10,11);1H3
InChIKeyBQUWDHUAAAGNCS-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.26
Rot. Bonds1

About 3-amino-5-hydroxybenzoic acid;fluoromethane

3-amino-5-hydroxybenzoic acid;fluoromethane (PubChem CID 143667983) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-amino-5-hydroxybenzoic acid;fluoromethane.

Molecular Properties

Compound Name3-amino-5-hydroxybenzoic acid;fluoromethane
PubChem CID143667983
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name3-amino-5-hydroxybenzoic acid;fluoromethane
SMILESCF.Nc1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C7H7NO3.CH3F/c8-5-1-4(7(10)11)2-6(9)3-5;1-2/h1-3,9H,8H2,(H,10,11);1H3
InChIKeyBQUWDHUAAAGNCS-UHFFFAOYSA-N
XLogP1.26
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-hydroxybenzoic acid;fluoromethane?
The IUPAC name of 3-amino-5-hydroxybenzoic acid;fluoromethane (CID 143667983) is 3-amino-5-hydroxybenzoic acid;fluoromethane.
What is the SMILES notation for 3-amino-5-hydroxybenzoic acid;fluoromethane?
The canonical SMILES for 3-amino-5-hydroxybenzoic acid;fluoromethane is CF.Nc1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-amino-5-hydroxybenzoic acid;fluoromethane?
The InChIKey is BQUWDHUAAAGNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.CH3F/c8-5-1-4(7(10)11)2-6(9)3-5;1-2/h1-3,9H,8H2,(H,10,11);1H3.
What are the key properties of 3-amino-5-hydroxybenzoic acid;fluoromethane?
3-amino-5-hydroxybenzoic acid;fluoromethane has a molecular weight of 187.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-hydroxybenzoic acid;fluoromethane is sourced from PubChem (CID 143667983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).