5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid

C14H10ClFN2O3 — CID 81091399

IUPAC5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H10ClFN2O3/c15-9-2-1-3-10(16)12(9)13(19)18-7-8-4-5-11(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyXFJBEJFDLGUQAO-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.50
Rot. Bonds4

About 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81091399) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81091399
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H10ClFN2O3/c15-9-2-1-3-10(16)12(9)13(19)18-7-8-4-5-11(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyXFJBEJFDLGUQAO-UHFFFAOYSA-N
XLogP2.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107013740
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
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
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 81091399) is 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cn1.
What is the InChIKey of 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XFJBEJFDLGUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-9-2-1-3-10(16)12(9)13(19)18-7-8-4-5-11(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 308.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81091399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).