5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C12H9ClN2O4 — CID 81098591

IUPAC5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(Cl)o2)cn1
InChIInChI=1S/C12H9ClN2O4/c13-10-4-3-9(19-10)11(16)15-6-7-1-2-8(12(17)18)14-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKeyLVBMEQMOBZKFCZ-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.96
Rot. Bonds4

About 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81098591) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81098591
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(Cl)o2)cn1
InChIInChI=1S/C12H9ClN2O4/c13-10-4-3-9(19-10)11(16)15-6-7-1-2-8(12(17)18)14-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKeyLVBMEQMOBZKFCZ-UHFFFAOYSA-N
XLogP1.96
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 114368194
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81098591) is 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2ccc(Cl)o2)cn1.
What is the InChIKey of 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LVBMEQMOBZKFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c13-10-4-3-9(19-10)11(16)15-6-7-1-2-8(12(17)18)14-5-7/h1-5H,6H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 280.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81098591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).