5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C13H10Cl2N2O4 — CID 61024449

IUPAC5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O4/c1-6-9(13(19)20)3-8(21-6)5-17-12(18)7-2-10(14)11(15)16-4-7/h2-4H,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyFZMQFLHRMUEZEH-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.92
Rot. Bonds4

About 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61024449) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61024449
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O4/c1-6-9(13(19)20)3-8(21-6)5-17-12(18)7-2-10(14)11(15)16-4-7/h2-4H,5H2,1H3,(H,17,18)(H,19,20)
InChIKeyFZMQFLHRMUEZEH-UHFFFAOYSA-N
XLogP2.92
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226848
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 122107716
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494

Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61024449) is 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is FZMQFLHRMUEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-6-9(13(19)20)3-8(21-6)5-17-12(18)7-2-10(14)11(15)16-4-7/h2-4H,5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 329.14 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61024449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).