2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid

C14H10FNO5 — CID 107688173

IUPAC2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H10FNO5/c15-8-4-1-3-7(14(20)21)12(8)16-13(19)11-9(17)5-2-6-10(11)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyUIDMZCFUXFBZFS-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.19
Rot. Bonds3

About 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid

2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 107688173) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
PubChem CID107688173
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H10FNO5/c15-8-4-1-3-7(14(20)21)12(8)16-13(19)11-9(17)5-2-6-10(11)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyUIDMZCFUXFBZFS-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

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-[[2,3,4-tris[(2,6-dicarboxyphenyl)carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 22768017
2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497359
2-[(2,5-dibromothiophene-3-carbonyl)amino]-3-fluorobenzoic acid
CID 107949385
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 81498674
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid (CID 107688173) is 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is UIDMZCFUXFBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c15-8-4-1-3-7(14(20)21)12(8)16-13(19)11-9(17)5-2-6-10(11)18/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid?
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic 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 2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 107688173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).