5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid

C14H9FN2O7 — CID 156760821

IUPAC5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)Nc2cnc(F)cc2C(=O)O)cc1O
InChIInChI=1S/C14H9FN2O7/c15-11-3-5(13(21)22)8(4-16-11)17-12(20)6-1-10(19)7(14(23)24)2-9(6)18/h1-4,18-19H,(H,17,20)(H,21,22)(H,23,24)
InChIKeyZFQZVGUCRMRVCW-UHFFFAOYSA-N
MW336.23 g/mol
LogP1.28
Rot. Bonds4

About 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid

5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid (PubChem CID 156760821) has the molecular formula C14H9FN2O7 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid
PubChem CID156760821
Molecular FormulaC14H9FN2O7
Molecular Weight336.23 g/mol
Exact Mass336.04
IUPAC Name5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(O)c(C(=O)Nc2cnc(F)cc2C(=O)O)cc1O
InChIInChI=1S/C14H9FN2O7/c15-11-3-5(13(21)22)8(4-16-11)17-12(20)6-1-10(19)7(14(23)24)2-9(6)18/h1-4,18-19H,(H,17,20)(H,21,22)(H,23,24)
InChIKeyZFQZVGUCRMRVCW-UHFFFAOYSA-N
XLogP1.28
TPSA157.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 51.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
4-[(2,5-dihydroxy-4-sulfobenzoyl)amino]pyridine-3-carboxylic acid
CID 156760744
4-[[4-(carboxymethyl)-2,5-dihydroxybenzoyl]carbamoyl]-2,5-dihydroxybenzoic acid
CID 156760597
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 63977827
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
CID 172784976
CID 172784976

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid?
The IUPAC name of 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid (CID 156760821) is 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(O)c(C(=O)Nc2cnc(F)cc2C(=O)O)cc1O.
What is the InChIKey of 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid?
The InChIKey is ZFQZVGUCRMRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O7/c15-11-3-5(13(21)22)8(4-16-11)17-12(20)6-1-10(19)7(14(23)24)2-9(6)18/h1-4,18-19H,(H,17,20)(H,21,22)(H,23,24).
What are the key properties of 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid?
5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid has a molecular weight of 336.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carboxy-2,5-dihydroxybenzoyl)amino]-2-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 156760821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).