4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C12H10Cl2N2O3 — CID 79209097

IUPAC4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-4-7(5-15-10(9)14)11(17)16-8-2-1-6(3-8)12(18)19/h1-2,4-6,8H,3H2,(H,16,17)(H,18,19)
InChIKeyCTDYSYVKJGCEEP-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.15
Rot. Bonds3

About 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209097) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209097
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O3/c13-9-4-7(5-15-10(9)14)11(17)16-8-2-1-6(3-8)12(18)19/h1-2,4-6,8H,3H2,(H,16,17)(H,18,19)
InChIKeyCTDYSYVKJGCEEP-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216940
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-[(3-chloropyridine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210100
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
4-[(2,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114036961
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192824

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209097) is 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is CTDYSYVKJGCEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-9-4-7(5-15-10(9)14)11(17)16-8-2-1-6(3-8)12(18)19/h1-2,4-6,8H,3H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 301.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).