5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid

C14H11FN2O4 — CID 107013740

IUPAC5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c(O)cccc2F)cn1
InChIInChI=1S/C14H11FN2O4/c15-9-2-1-3-11(18)12(9)13(19)17-7-8-4-5-10(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21)
InChIKeyWRDSFSWQFUSLPQ-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.55
Rot. Bonds4

About 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 107013740) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID107013740
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c(O)cccc2F)cn1
InChIInChI=1S/C14H11FN2O4/c15-9-2-1-3-11(18)12(9)13(19)17-7-8-4-5-10(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21)
InChIKeyWRDSFSWQFUSLPQ-UHFFFAOYSA-N
XLogP1.55
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 107013740) is 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2c(O)cccc2F)cn1.
What is the InChIKey of 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WRDSFSWQFUSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-9-2-1-3-11(18)12(9)13(19)17-7-8-4-5-10(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21).
What are the key properties of 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107013740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).