3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid

C14H10FNO5 — CID 107675143

IUPAC3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(O)cc1F
InChIInChI=1S/C14H10FNO5/c15-10-6-7(17)4-5-8(10)13(19)16-11-3-1-2-9(12(11)18)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyYVVDKHDYOGKXTP-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.19
Rot. Bonds3

About 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid

3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 107675143) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID107675143
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(O)cc1F
InChIInChI=1S/C14H10FNO5/c15-10-6-7(17)4-5-8(10)13(19)16-11-3-1-2-9(12(11)18)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyYVVDKHDYOGKXTP-UHFFFAOYSA-N
XLogP2.19
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid (CID 107675143) is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1ccc(O)cc1F.
What is the InChIKey of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is YVVDKHDYOGKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-10-6-7(17)4-5-8(10)13(19)16-11-3-1-2-9(12(11)18)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 291.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107675143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).